N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide

C14H15N5O — CID 64510104

IUPACN,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C14H15N5O/c1-9-13(10-5-3-4-6-11(10)17-9)14(20)19(2)7-12-15-8-16-18-12/h3-6,8,17H,7H2,1-2H3,(H,15,16,18)
InChIKeySTEOWTRORHSCMV-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.87
Rot. Bonds3

About N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide

N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 64510104) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide
PubChem CID64510104
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C14H15N5O/c1-9-13(10-5-3-4-6-11(10)17-9)14(20)19(2)7-12-15-8-16-18-12/h3-6,8,17H,7H2,1-2H3,(H,15,16,18)
InChIKeySTEOWTRORHSCMV-UHFFFAOYSA-N
XLogP1.87
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide (CID 64510104) is N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide?
The InChIKey is STEOWTRORHSCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-13(10-5-3-4-6-11(10)17-9)14(20)19(2)7-12-15-8-16-18-12/h3-6,8,17H,7H2,1-2H3,(H,15,16,18).
What are the key properties of N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide?
N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 64510104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).