N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide

C12H11N5O — CID 80709605

IUPACN-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide
SMILESCn1ncnc1NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H11N5O/c1-17-12(14-7-15-17)16-11(18)9-3-2-8-4-5-13-10(8)6-9/h2-7,13H,1H3,(H,14,15,16,18)
InChIKeyLNPLBKLBLCSNEL-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.55
Rot. Bonds2

About N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide

N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide (PubChem CID 80709605) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide
PubChem CID80709605
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC NameN-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide
SMILESCn1ncnc1NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H11N5O/c1-17-12(14-7-15-17)16-11(18)9-3-2-8-4-5-13-10(8)6-9/h2-7,13H,1H3,(H,14,15,16,18)
InChIKeyLNPLBKLBLCSNEL-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

Analyze N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103800959
4-hydroxy-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 113357521
4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80710118
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80709266
3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 103769476
N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
CID 39709233
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
CID 116795223
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 79523236
N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
CID 65490101
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645
6-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63749854

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide (CID 80709605) is N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide is Cn1ncnc1NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide?
The InChIKey is LNPLBKLBLCSNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-17-12(14-7-15-17)16-11(18)9-3-2-8-4-5-13-10(8)6-9/h2-7,13H,1H3,(H,14,15,16,18).
What are the key properties of N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide?
N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-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-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 80709605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).