70S
2H-indazol-5-amine
Created: | 2016-08-09 |
Last modified: | 2017-02-15 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 17 |
Chiral Atom Count | 0 |
Bond Count | 18 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 2H-indazol-5-amine |
Systematic Name (OpenEye OEToolkits) | 2~{H}-indazol-5-amine |
Formula | C7 H7 N3 |
Molecular Weight | 133.151 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Nc1ccc2c(c1)cnn2 |
SMILES | CACTVS | 3.385 | Nc1ccc2n[nH]cc2c1 |
SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc1N)c[nH]n2 |
Canonical SMILES | CACTVS | 3.385 | Nc1ccc2n[nH]cc2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc1N)c[nH]n2 |
InChI | InChI | 1.03 | InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10) |
InChIKey | InChI | 1.03 | XBTOSRUBOXQWBO-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 88012 |
ChEMBL | CHEMBL17551 |