N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

C16H20ClN5O2 — CID 78883233

IUPACN-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN5O2/c1-3-4-9-21(10-14(18)23)16(24)15-19-11(2)22(20-15)13-7-5-12(17)6-8-13/h5-8H,3-4,9-10H2,1-2H3,(H2,18,23)
InChIKeyWDMDKANMIRXHCJ-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.96
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 78883233) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID78883233
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN5O2/c1-3-4-9-21(10-14(18)23)16(24)15-19-11(2)22(20-15)13-7-5-12(17)6-8-13/h5-8H,3-4,9-10H2,1-2H3,(H2,18,23)
InChIKeyWDMDKANMIRXHCJ-UHFFFAOYSA-N
XLogP1.96
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

3-(4-chlorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 2316531
1-(2,4-dichlorophenyl)-N,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 3785120
1-(2,5-dichlorophenyl)-5-methyl-N-propyl-1H-1,2,4-triazole-3-carboxamide
CID 3794081
1-(2,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 4209635
1-(3,5-dichlorophenyl)-N,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 1473979
1-(3,5-dichlorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 1473998
1-(3,5-dichlorophenyl)-5-methyl-N-propyl-1H-1,2,4-triazole-3-carboxamide
CID 3763992
1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1H-1,2,4-triazole-3-carboxamide
CID 4270235
N-(4-chlorophenyl)-5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide
CID 3725365
1,5-bis(4-chlorophenyl)-N-hexadecyl-1,2,4-triazole-3-carboxamide
CID 71583524
N-(4-chloro-3-fluoro-phenyl)-N'-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]oxamide
CID 46198991
1-(3,5-dichlorophenyl)-N,N,5-trimethyl-1H-1,2,4-triazole-3-carboxamide
CID 1473980

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide (CID 78883233) is N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide is CCCCN(CC(N)=O)C(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is WDMDKANMIRXHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-3-4-9-21(10-14(18)23)16(24)15-19-11(2)22(20-15)13-7-5-12(17)6-8-13/h5-8H,3-4,9-10H2,1-2H3,(H2,18,23).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 78883233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).