N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride

C15H20Cl3N5O — CID 119626727

IUPACN-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCCc1nc(C(=O)NCC(C)(C)N)nn1-c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C15H19Cl2N5O.ClH/c1-4-11-20-13(14(23)19-8-15(2,3)18)21-22(11)12-9(16)6-5-7-10(12)17;/h5-7H,4,8,18H2,1-3H3,(H,19,23);1H
InChIKeyXILPVCZZIGYSJE-UHFFFAOYSA-N
MW392.72 g/mol
LogP3.03
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride (PubChem CID 119626727) has the molecular formula C15H20Cl3N5O and a molecular weight of 392.72 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride
PubChem CID119626727
Molecular FormulaC15H20Cl3N5O
Molecular Weight392.72 g/mol
Exact Mass391.07
IUPAC NameN-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCCc1nc(C(=O)NCC(C)(C)N)nn1-c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C15H19Cl2N5O.ClH/c1-4-11-20-13(14(23)19-8-15(2,3)18)21-22(11)12-9(16)6-5-7-10(12)17;/h5-7H,4,8,18H2,1-3H3,(H,19,23);1H
InChIKeyXILPVCZZIGYSJE-UHFFFAOYSA-N
XLogP3.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.72
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249708
N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide
CID 119522112
2-[[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187607
1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
CID 43652653
(3S)-3-[[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71240310
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
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
[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560575
1-(2,6-dichlorophenyl)-5-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-triazole-3-carboxamide
CID 86886763
N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 119525130

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride (CID 119626727) is N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride is CCc1nc(C(=O)NCC(C)(C)N)nn1-c1c(Cl)cccc1Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The InChIKey is XILPVCZZIGYSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N5O.ClH/c1-4-11-20-13(14(23)19-8-15(2,3)18)21-22(11)12-9(16)6-5-7-10(12)17;/h5-7H,4,8,18H2,1-3H3,(H,19,23);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride has a molecular weight of 392.72 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119626727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).