N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride

C17H25BrClN5O — CID 119597999

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)(CN)CC(C)C)nnn1-c1cccc(Br)c1.Cl
InChIInChI=1S/C17H24BrN5O.ClH/c1-11(2)9-17(4,10-19)20-16(24)15-12(3)23(22-21-15)14-7-5-6-13(18)8-14;/h5-8,11H,9-10,19H2,1-4H3,(H,20,24);1H
InChIKeyOHSGQDHQYCQQSV-UHFFFAOYSA-N
MW430.78 g/mol
LogP3.25
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride (PubChem CID 119597999) has the molecular formula C17H25BrClN5O and a molecular weight of 430.78 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride
PubChem CID119597999
Molecular FormulaC17H25BrClN5O
Molecular Weight430.78 g/mol
Exact Mass429.09
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)(CN)CC(C)C)nnn1-c1cccc(Br)c1.Cl
InChIInChI=1S/C17H24BrN5O.ClH/c1-11(2)9-17(4,10-19)20-16(24)15-12(3)23(22-21-15)14-7-5-6-13(18)8-14;/h5-8,11H,9-10,19H2,1-4H3,(H,20,24);1H
InChIKeyOHSGQDHQYCQQSV-UHFFFAOYSA-N
XLogP3.25
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.78
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride (CID 119597999) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC(C)(CN)CC(C)C)nnn1-c1cccc(Br)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride?
The InChIKey is OHSGQDHQYCQQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN5O.ClH/c1-11(2)9-17(4,10-19)20-16(24)15-12(3)23(22-21-15)14-7-5-6-13(18)8-14;/h5-8,11H,9-10,19H2,1-4H3,(H,20,24);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride has a molecular weight of 430.78 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119597999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).