N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide

C14H18N4O — CID 75386126

IUPACN-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cccc(C(C)(C)CNC(=O)c2ncn[nH]2)c1
InChIInChI=1S/C14H18N4O/c1-10-5-4-6-11(7-10)14(2,3)8-15-13(19)12-16-9-17-18-12/h4-7,9H,8H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyOAOADJMVHFMGJV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.82
Rot. Bonds4

About N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide

N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 75386126) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID75386126
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cccc(C(C)(C)CNC(=O)c2ncn[nH]2)c1
InChIInChI=1S/C14H18N4O/c1-10-5-4-6-11(7-10)14(2,3)8-15-13(19)12-16-9-17-18-12/h4-7,9H,8H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyOAOADJMVHFMGJV-UHFFFAOYSA-N
XLogP1.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055460
N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283707
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 138057931
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
4-(methoxymethyl)-N-[2-methyl-2-(3-methylphenyl)propyl]benzamide
CID 60599970
2-[3-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182911
5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119756975
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide
CID 119757001
N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 51127790
2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride
CID 119757019

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide (CID 75386126) is N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide is Cc1cccc(C(C)(C)CNC(=O)c2ncn[nH]2)c1.
What is the InChIKey of N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OAOADJMVHFMGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-5-4-6-11(7-10)14(2,3)8-15-13(19)12-16-9-17-18-12/h4-7,9H,8H2,1-3H3,(H,15,19)(H,16,17,18).
What are the key properties of N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 75386126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).