N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide

C15H19Cl2N5O — CID 119522112

IUPACN-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NC(C)(C)CN)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2N5O/c1-4-11-19-13(14(23)20-15(2,3)8-18)21-22(11)12-9(16)6-5-7-10(12)17/h5-7H,4,8,18H2,1-3H3,(H,20,23)
InChIKeyLVQGVYXEBSCBDS-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.60
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide

N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide (PubChem CID 119522112) has the molecular formula C15H19Cl2N5O and a molecular weight of 356.26 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide
PubChem CID119522112
Molecular FormulaC15H19Cl2N5O
Molecular Weight356.26 g/mol
Exact Mass355.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NC(C)(C)CN)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2N5O/c1-4-11-19-13(14(23)20-15(2,3)8-18)21-22(11)12-9(16)6-5-7-10(12)17/h5-7H,4,8,18H2,1-3H3,(H,20,23)
InChIKeyLVQGVYXEBSCBDS-UHFFFAOYSA-N
XLogP2.60
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-ethyl-1,2,4-triazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187607
N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119626727
3-[[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249708
1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
CID 43652653
2-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 119199063
(3S)-3-[[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71240310
[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560575
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]methanone
CID 119410071
N-(2-aminoethyl)-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 119385538
1-(2,6-dichlorophenyl)-5-ethyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1,2,4-triazole-3-carboxamide
CID 86885275
1-(2,6-dichlorophenyl)-5-ethyl-N-[4-[[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]amino]phenyl]-1,2,4-triazole-3-carboxamide
CID 95249476

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide (CID 119522112) is N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NC(C)(C)CN)nn1-c1c(Cl)cccc1Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is LVQGVYXEBSCBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N5O/c1-4-11-19-13(14(23)20-15(2,3)8-18)21-22(11)12-9(16)6-5-7-10(12)17/h5-7H,4,8,18H2,1-3H3,(H,20,23).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 356.26 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 119522112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).