N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide

C14H26N4O2 — CID 111460513

IUPACN-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide
SMILESCC(C)CCn1cc(C(=O)NCCC(O)C(C)C)nn1
InChIInChI=1S/C14H26N4O2/c1-10(2)6-8-18-9-12(16-17-18)14(20)15-7-5-13(19)11(3)4/h9-11,13,19H,5-8H2,1-4H3,(H,15,20)
InChIKeyZGLTZBSNOAYEOO-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.46
Rot. Bonds8

About N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide

N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide (PubChem CID 111460513) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide
PubChem CID111460513
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide
SMILESCC(C)CCn1cc(C(=O)NCCC(O)C(C)C)nn1
InChIInChI=1S/C14H26N4O2/c1-10(2)6-8-18-9-12(16-17-18)14(20)15-7-5-13(19)11(3)4/h9-11,13,19H,5-8H2,1-4H3,(H,15,20)
InChIKeyZGLTZBSNOAYEOO-UHFFFAOYSA-N
XLogP1.46
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 119585740
1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
CID 119391025
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide
CID 111450769
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
ethane;N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]-1-(4-methylpentyl)triazole-4-carboxamide;propanal
CID 171554594
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
CID 119605820
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 119597700
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460800
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-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111560633

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide (CID 111460513) is N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide is CC(C)CCn1cc(C(=O)NCCC(O)C(C)C)nn1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide?
The InChIKey is ZGLTZBSNOAYEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10(2)6-8-18-9-12(16-17-18)14(20)15-7-5-13(19)11(3)4/h9-11,13,19H,5-8H2,1-4H3,(H,15,20).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide?
N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide is sourced from PubChem (CID 111460513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).