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

C14H15N5O — CID 103741487

IUPAC1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
SMILESCC(NC(=O)c1cn(C)c2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H15N5O/c1-9(13-15-8-16-18-13)17-14(20)11-7-19(2)12-6-4-3-5-10(11)12/h3-9H,1-2H3,(H,17,20)(H,15,16,18)
InChIKeyFSYHTLJJJKQMNX-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.79
Rot. Bonds3

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

1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide (PubChem CID 103741487) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
PubChem CID103741487
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
SMILESCC(NC(=O)c1cn(C)c2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H15N5O/c1-9(13-15-8-16-18-13)17-14(20)11-7-19(2)12-6-4-3-5-10(11)12/h3-9H,1-2H3,(H,17,20)(H,15,16,18)
InChIKeyFSYHTLJJJKQMNX-UHFFFAOYSA-N
XLogP1.79
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283174
N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9152128
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 103716638
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 103725904
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide (CID 103741487) is 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide is CC(NC(=O)c1cn(C)c2ccccc12)c1ncn[nH]1.
What is the InChIKey of 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide?
The InChIKey is FSYHTLJJJKQMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9(13-15-8-16-18-13)17-14(20)11-7-19(2)12-6-4-3-5-10(11)12/h3-9H,1-2H3,(H,17,20)(H,15,16,18).
What are the key properties of 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide?
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 103741487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).