1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide

C17H19Cl2N7O — CID 86935702

IUPAC1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCCc2nncn2C(C)C)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2N7O/c1-10(2)25-9-21-23-14(25)7-8-20-17(27)16-22-11(3)26(24-16)15-12(18)5-4-6-13(15)19/h4-6,9-10H,7-8H2,1-3H3,(H,20,27)
InChIKeyBKKSGPQCLSLNJH-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.03
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide

1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide (PubChem CID 86935702) has the molecular formula C17H19Cl2N7O and a molecular weight of 408.29 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide
PubChem CID86935702
Molecular FormulaC17H19Cl2N7O
Molecular Weight408.29 g/mol
Exact Mass407.10
IUPAC Name1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCCc2nncn2C(C)C)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2N7O/c1-10(2)25-9-21-23-14(25)7-8-20-17(27)16-22-11(3)26(24-16)15-12(18)5-4-6-13(15)19/h4-6,9-10H,7-8H2,1-3H3,(H,20,27)
InChIKeyBKKSGPQCLSLNJH-UHFFFAOYSA-N
XLogP3.03
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 119385538
1-(2,6-dichlorophenyl)-5-methyl-N-[2-(methylamino)ethyl]-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119504346
2-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 119199063
1-(2,6-dichlorophenyl)-N-[3-(methylamino)propyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119430439
N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 119525130
2-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200091
1-(2,6-dichlorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119464610
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 118774494
1-(4-chlorophenyl)-N-[2-(2,6-difluorophenyl)ethyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78892564
4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 167819502
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide;hydrochloride
CID 154903527
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119612506

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide (CID 86935702) is 1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NCCc2nncn2C(C)C)nn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is BKKSGPQCLSLNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N7O/c1-10(2)25-9-21-23-14(25)7-8-20-17(27)16-22-11(3)26(24-16)15-12(18)5-4-6-13(15)19/h4-6,9-10H,7-8H2,1-3H3,(H,20,27).
What are the key properties of 1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide?
1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 408.29 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 86935702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).