1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide

C12H11N5O — CID 71709039

IUPAC1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide
SMILESCn1ccc2ccc(C(=O)Nc3ncn[nH]3)cc21
InChIInChI=1S/C12H11N5O/c1-17-5-4-8-2-3-9(6-10(8)17)11(18)15-12-13-7-14-16-12/h2-7H,1H3,(H2,13,14,15,16,18)
InChIKeyAYZHROKHPJIARO-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.55
Rot. Bonds2

About 1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide

1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide (PubChem CID 71709039) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide
PubChem CID71709039
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide
SMILESCn1ccc2ccc(C(=O)Nc3ncn[nH]3)cc21
InChIInChI=1S/C12H11N5O/c1-17-5-4-8-2-3-9(6-10(8)17)11(18)15-12-13-7-14-16-12/h2-7H,1H3,(H2,13,14,15,16,18)
InChIKeyAYZHROKHPJIARO-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide?
The IUPAC name of 1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide (CID 71709039) is 1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide.
What is the SMILES notation for 1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide?
The canonical SMILES for 1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide is Cn1ccc2ccc(C(=O)Nc3ncn[nH]3)cc21.
What is the InChIKey of 1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide?
The InChIKey is AYZHROKHPJIARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-17-5-4-8-2-3-9(6-10(8)17)11(18)15-12-13-7-14-16-12/h2-7H,1H3,(H2,13,14,15,16,18).
What are the key properties of 1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide?
1-methyl-N-(1H-1,2,4-triazol-5-yl)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 1-methyl-N-(1H-1,2,4-triazol-5-yl)indole-6-carboxamide is sourced from PubChem (CID 71709039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).