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

C13H13N5O — CID 86794129

IUPAC1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide
SMILESCn1cnnc1NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C13H13N5O/c1-17-7-10(9-5-3-4-6-11(9)17)12(19)15-13-16-14-8-18(13)2/h3-8H,1-2H3,(H,15,16,19)
InChIKeyDHICKODHUPDPIS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.56
Rot. Bonds2

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

1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide (PubChem CID 86794129) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide
PubChem CID86794129
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide
SMILESCn1cnnc1NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C13H13N5O/c1-17-7-10(9-5-3-4-6-11(9)17)12(19)15-13-16-14-8-18(13)2/h3-8H,1-2H3,(H,15,16,19)
InChIKeyDHICKODHUPDPIS-UHFFFAOYSA-N
XLogP1.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-phenylindole-3-carboxamide
CID 9038340
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide
CID 118652798
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
CID 47068134
1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide
CID 40717499
1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide
CID 53370102
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide
CID 55993689
CID 87065455
CID 87065455
1-methylindole-3-carbothioic S-acid
CID 116918837
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
CID 107845947

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide (CID 86794129) is 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide is Cn1cnnc1NC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide?
The InChIKey is DHICKODHUPDPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-17-7-10(9-5-3-4-6-11(9)17)12(19)15-13-16-14-8-18(13)2/h3-8H,1-2H3,(H,15,16,19).
What are the key properties of 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide?
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide is sourced from PubChem (CID 86794129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).