1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide

C18H23ClN4O — CID 78873942

IUPAC1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(CCC(C)C)C2CC2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O/c1-12(2)10-11-22(15-8-9-15)18(24)17-20-13(3)23(21-17)16-6-4-14(19)5-7-16/h4-7,12,15H,8-11H2,1-3H3
InChIKeyUAHWNDULSJIPBO-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.88
Rot. Bonds6

About 1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide (PubChem CID 78873942) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide
PubChem CID78873942
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(CCC(C)C)C2CC2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O/c1-12(2)10-11-22(15-8-9-15)18(24)17-20-13(3)23(21-17)16-6-4-14(19)5-7-16/h4-7,12,15H,8-11H2,1-3H3
InChIKeyUAHWNDULSJIPBO-UHFFFAOYSA-N
XLogP3.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 86876173
1-(4-chlorophenyl)-N-(3-hydroxybutyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 111433492
1-(4-chlorophenyl)-N-(2-hydroxypropyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78856116
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78865661
methyl 2-[[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-propan-2-ylamino]acetate
CID 78884635
1-(4-chlorophenyl)-5-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 24539442
1-(4-chlorophenyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78879698
N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78883233
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 113228627
1-(4-chlorophenyl)-5-methyl-N-prop-2-ynyl-1,2,4-triazole-3-carboxamide
CID 24542740
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
CID 9489639

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide (CID 78873942) is 1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(CCC(C)C)C2CC2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is UAHWNDULSJIPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-12(2)10-11-22(15-8-9-15)18(24)17-20-13(3)23(21-17)16-6-4-14(19)5-7-16/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 78873942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).