N-cyano-1H-indazole-5-carboxamide

C9H6N4O — CID 79195271

IUPACN-cyano-1H-indazole-5-carboxamide
SMILESN#CNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C9H6N4O/c10-5-11-9(14)6-1-2-8-7(3-6)4-12-13-8/h1-4H,(H,11,14)(H,12,13)
InChIKeyXZKHLSKUIBUBFY-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.77
Rot. Bonds1

About N-cyano-1H-indazole-5-carboxamide

N-cyano-1H-indazole-5-carboxamide (PubChem CID 79195271) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is N-cyano-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyano-1H-indazole-5-carboxamide
PubChem CID79195271
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC NameN-cyano-1H-indazole-5-carboxamide
SMILESN#CNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C9H6N4O/c10-5-11-9(14)6-1-2-8-7(3-6)4-12-13-8/h1-4H,(H,11,14)(H,12,13)
InChIKeyXZKHLSKUIBUBFY-UHFFFAOYSA-N
XLogP0.77
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
CID 79011193
3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
N-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 69422881
4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 60810348
N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558
(E)-3-anilino-2-(1H-indazole-5-carbonyl)prop-2-enenitrile
CID 163936740
N-(3-methylcyclopentyl)-1H-indazole-5-carboxamide
CID 114550169

Frequently Asked Questions

What is the IUPAC name of N-cyano-1H-indazole-5-carboxamide?
The IUPAC name of N-cyano-1H-indazole-5-carboxamide (CID 79195271) is N-cyano-1H-indazole-5-carboxamide.
What is the SMILES notation for N-cyano-1H-indazole-5-carboxamide?
The canonical SMILES for N-cyano-1H-indazole-5-carboxamide is N#CNC(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-cyano-1H-indazole-5-carboxamide?
The InChIKey is XZKHLSKUIBUBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c10-5-11-9(14)6-1-2-8-7(3-6)4-12-13-8/h1-4H,(H,11,14)(H,12,13).
What are the key properties of N-cyano-1H-indazole-5-carboxamide?
N-cyano-1H-indazole-5-carboxamide has a molecular weight of 186.17 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-1H-indazole-5-carboxamide is sourced from PubChem (CID 79195271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).