5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide

C15H21N5O — CID 120829414

IUPAC5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCNC(C)CNC(=O)c1nnn(-c2ccc(C)cc2)c1C
InChIInChI=1S/C15H21N5O/c1-10-5-7-13(8-6-10)20-12(3)14(18-19-20)15(21)17-9-11(2)16-4/h5-8,11,16H,9H2,1-4H3,(H,17,21)
InChIKeyWBFBCVNGWWEQRO-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.22
Rot. Bonds5

About 5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide

5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 120829414) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID120829414
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCNC(C)CNC(=O)c1nnn(-c2ccc(C)cc2)c1C
InChIInChI=1S/C15H21N5O/c1-10-5-7-13(8-6-10)20-12(3)14(18-19-20)15(21)17-9-11(2)16-4/h5-8,11,16H,9H2,1-4H3,(H,17,21)
InChIKeyWBFBCVNGWWEQRO-UHFFFAOYSA-N
XLogP1.22
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(methylamino)propyl]-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 120831805
N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 111448019
4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid
CID 119253620
3-methyl-2-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119170359
N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 120831900
(2R)-2-(4-fluorophenoxy)-3-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]propanoic acid
CID 97337600
1-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-methyltriazole-4-carboxamide
CID 46858303
7-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]heptanoic acid
CID 119227588
N-[2,6-di(propan-2-yl)phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 60527228
N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 111460181
N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86819205
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide (CID 120829414) is 5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide is CNC(C)CNC(=O)c1nnn(-c2ccc(C)cc2)c1C.
What is the InChIKey of 5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is WBFBCVNGWWEQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-5-7-13(8-6-10)20-12(3)14(18-19-20)15(21)17-9-11(2)16-4/h5-8,11,16H,9H2,1-4H3,(H,17,21).
What are the key properties of 5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide?
5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 120829414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).