N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide

C15H29N5O — CID 119597700

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
SMILESCC(C)CCn1cc(C(=O)NC(C)(CN)CC(C)C)nn1
InChIInChI=1S/C15H29N5O/c1-11(2)6-7-20-9-13(18-19-20)14(21)17-15(5,10-16)8-12(3)4/h9,11-12H,6-8,10,16H2,1-5H3,(H,17,21)
InChIKeyHGZXPKJBBRFFTA-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.82
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide (PubChem CID 119597700) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
PubChem CID119597700
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
SMILESCC(C)CCn1cc(C(=O)NC(C)(CN)CC(C)C)nn1
InChIInChI=1S/C15H29N5O/c1-11(2)6-7-20-9-13(18-19-20)14(21)17-15(5,10-16)8-12(3)4/h9,11-12H,6-8,10,16H2,1-5H3,(H,17,21)
InChIKeyHGZXPKJBBRFFTA-UHFFFAOYSA-N
XLogP1.82
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
CID 119521711
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 119605821
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
CID 119605820
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-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 115309756
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2,4-dimethylpentan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119260997
4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119598253
2-[4-(5-methylhexan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288776
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 119597627
N-(6-amino-1,3-benzodioxol-5-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
CID 119618056

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide (CID 119597700) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide is CC(C)CCn1cc(C(=O)NC(C)(CN)CC(C)C)nn1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide?
The InChIKey is HGZXPKJBBRFFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-11(2)6-7-20-9-13(18-19-20)14(21)17-15(5,10-16)8-12(3)4/h9,11-12H,6-8,10,16H2,1-5H3,(H,17,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.82, 8 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-methylbutyl)triazole-4-carboxamide is sourced from PubChem (CID 119597700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).