N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide

C14H15N5O — CID 77082060

IUPACN-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide
SMILESCc1nc(C(C)NC(=O)c2ccc3cc[nH]c3c2)n[nH]1
InChIInChI=1S/C14H15N5O/c1-8(13-17-9(2)18-19-13)16-14(20)11-4-3-10-5-6-15-12(10)7-11/h3-8,15H,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyAXJQLEHPFLCURK-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.09
Rot. Bonds3

About N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide

N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide (PubChem CID 77082060) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide
PubChem CID77082060
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide
SMILESCc1nc(C(C)NC(=O)c2ccc3cc[nH]c3c2)n[nH]1
InChIInChI=1S/C14H15N5O/c1-8(13-17-9(2)18-19-13)16-14(20)11-4-3-10-5-6-15-12(10)7-11/h3-8,15H,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyAXJQLEHPFLCURK-UHFFFAOYSA-N
XLogP2.09
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide (CID 77082060) is N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide is Cc1nc(C(C)NC(=O)c2ccc3cc[nH]c3c2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide?
The InChIKey is AXJQLEHPFLCURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8(13-17-9(2)18-19-13)16-14(20)11-4-3-10-5-6-15-12(10)7-11/h3-8,15H,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide?
N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 77082060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).