N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide

C12H11N5O — CID 86815562

IUPACN-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide
SMILESCn1cnnc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H11N5O/c1-17-7-13-16-12(17)15-11(18)10-6-8-4-2-3-5-9(8)14-10/h2-7,14H,1H3,(H,15,16,18)
InChIKeyPHQMMVJSCDWJHB-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.55
Rot. Bonds2

About N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide

N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide (PubChem CID 86815562) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide
PubChem CID86815562
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC NameN-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide
SMILESCn1cnnc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H11N5O/c1-17-7-13-16-12(17)15-11(18)10-6-8-4-2-3-5-9(8)14-10/h2-7,14H,1H3,(H,15,16,18)
InChIKeyPHQMMVJSCDWJHB-UHFFFAOYSA-N
XLogP1.55
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide
CID 110474026
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-indole-2-carboxamide
CID 110474039
N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60717086
N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 43397690
N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indole-2-carboxamide
CID 115587298
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60784651
N-(5-bromo-6-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 79049257
N-(4-carbamoyl-1H-pyrazol-5-yl)-1H-indole-2-carboxamide
CID 110474036
2-(sulfinatocarbamoyl)-1H-indole
CID 174607158
N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
N-pyrazin-2-yl-1H-indole-2-carboxamide
CID 43422742

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide (CID 86815562) is N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide is Cn1cnnc1NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide?
The InChIKey is PHQMMVJSCDWJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-17-7-13-16-12(17)15-11(18)10-6-8-4-2-3-5-9(8)14-10/h2-7,14H,1H3,(H,15,16,18).
What are the key properties of N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide?
N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 86815562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).