N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide

C15H20N4O — CID 39394633

IUPACN-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1cn(-c2ccc(C)cc2)nn1
InChIInChI=1S/C15H20N4O/c1-5-15(3,4)16-14(20)13-10-19(18-17-13)12-8-6-11(2)7-9-12/h6-10H,5H2,1-4H3,(H,16,20)
InChIKeyYJKINZNFRGQNPZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.49
Rot. Bonds4

About N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide

N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 39394633) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID39394633
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1cn(-c2ccc(C)cc2)nn1
InChIInChI=1S/C15H20N4O/c1-5-15(3,4)16-14(20)13-10-19(18-17-13)12-8-6-11(2)7-9-12/h6-10H,5H2,1-4H3,(H,16,20)
InChIKeyYJKINZNFRGQNPZ-UHFFFAOYSA-N
XLogP2.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
1-(4-methylphenyl)triazole-4-carbonyl chloride
CID 71320958
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985554
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
2-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61261546
N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38951839
N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 136929474
4-methyl-2-[[1-(4-methylphenyl)triazole-4-carbonyl]amino]pentanoic acid
CID 119188574
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]triazole-4-carboxamide
CID 86991560
1-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)triazole-4-carboxamide
CID 86985740
N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38953471

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide (CID 39394633) is N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide is CCC(C)(C)NC(=O)c1cn(-c2ccc(C)cc2)nn1.
What is the InChIKey of N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is YJKINZNFRGQNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-5-15(3,4)16-14(20)13-10-19(18-17-13)12-8-6-11(2)7-9-12/h6-10H,5H2,1-4H3,(H,16,20).
What are the key properties of N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide?
N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 39394633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).