N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide

C11H9N5O — CID 63718442

IUPACN-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H9N5O/c17-10(15-11-13-6-14-16-11)8-1-2-9-7(5-8)3-4-12-9/h1-6,12H,(H2,13,14,15,16,17)
InChIKeyHKNYUXWVFQDORT-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.54
Rot. Bonds2

About N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide

N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide (PubChem CID 63718442) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide
PubChem CID63718442
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC NameN-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H9N5O/c17-10(15-11-13-6-14-16-11)8-1-2-9-7(5-8)3-4-12-9/h1-6,12H,(H2,13,14,15,16,17)
InChIKeyHKNYUXWVFQDORT-UHFFFAOYSA-N
XLogP1.54
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide
CID 112521790
3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3807378
N-quinolin-8-yl-1H-indole-5-carboxamide
CID 110694998
1-methyl-N-(1H-1,2,4-triazol-5-yl)indazole-6-carboxamide
CID 110475562
N-(5-phenyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide
CID 146085335
N-(2-hydroxy-4-methylphenyl)-1H-indole-5-carboxamide
CID 63716979
N-pyridazin-3-yl-1H-indole-5-carboxamide
CID 115635745
2-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 126195886
4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 110463040
4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866056
4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866073
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide (CID 63718442) is N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide is O=C(Nc1ncn[nH]1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide?
The InChIKey is HKNYUXWVFQDORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c17-10(15-11-13-6-14-16-11)8-1-2-9-7(5-8)3-4-12-9/h1-6,12H,(H2,13,14,15,16,17).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide?
N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide has a molecular weight of 227.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 63718442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).