N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride

C14H28ClN5O — CID 119605820

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
SMILESCC(C)CCn1cc(C(=O)NC(C)(CN)C(C)C)nn1.Cl
InChIInChI=1S/C14H27N5O.ClH/c1-10(2)6-7-19-8-12(17-18-19)13(20)16-14(5,9-15)11(3)4;/h8,10-11H,6-7,9,15H2,1-5H3,(H,16,20);1H
InChIKeyKRJXSPRYVMSBDD-UHFFFAOYSA-N
MW317.87 g/mol
LogP1.85
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119605820) has the molecular formula C14H28ClN5O and a molecular weight of 317.87 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
PubChem CID119605820
Molecular FormulaC14H28ClN5O
Molecular Weight317.87 g/mol
Exact Mass317.20
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
SMILESCC(C)CCn1cc(C(=O)NC(C)(CN)C(C)C)nn1.Cl
InChIInChI=1S/C14H27N5O.ClH/c1-10(2)6-7-19-8-12(17-18-19)13(20)16-14(5,9-15)11(3)4;/h8,10-11H,6-7,9,15H2,1-5H3,(H,16,20);1H
InChIKeyKRJXSPRYVMSBDD-UHFFFAOYSA-N
XLogP1.85
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.87
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 119605821
N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
CID 119521711
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 119597700
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 119608152
N-(1-amino-4-methylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 119585740
N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 111460513
N-(6-amino-1,3-benzodioxol-5-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
CID 119618056
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 115310439
1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
CID 119391025
1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
CID 120576398
2-[4-(5-methylhexan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288776
N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 115310485

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride (CID 119605820) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride is CC(C)CCn1cc(C(=O)NC(C)(CN)C(C)C)nn1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is KRJXSPRYVMSBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O.ClH/c1-10(2)6-7-19-8-12(17-18-19)13(20)16-14(5,9-15)11(3)4;/h8,10-11H,6-7,9,15H2,1-5H3,(H,16,20);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 317.87 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119605820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).