N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C12H22N4O3 — CID 110007349

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCCC(C)C(C)(O)CNC(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-5-9(2)12(3,19)7-13-10(17)6-16-11(18)15(4)8-14-16/h8-9,19H,5-7H2,1-4H3,(H,13,17)
InChIKeyMOWVDZXDICHPJL-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.50
Rot. Bonds6

About N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 110007349) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID110007349
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCCC(C)C(C)(O)CNC(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-5-9(2)12(3,19)7-13-10(17)6-16-11(18)15(4)8-14-16/h8-9,19H,5-7H2,1-4H3,(H,13,17)
InChIKeyMOWVDZXDICHPJL-UHFFFAOYSA-N
XLogP-0.50
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 166308344
N-[(1-hydroxycycloheptyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940289
N-(2-hydroxy-2-propylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940292
N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940297
N-(2-hydroxy-3-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940320
N-(3-ethyl-2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940573
N-(2-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940576
N-(2-hydroxy-3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109993799
N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 110007337
N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 110007641
N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136697108
N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 138017262

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 110007349) is N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is CCC(C)C(C)(O)CNC(=O)Cn1ncn(C)c1=O.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is MOWVDZXDICHPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-5-9(2)12(3,19)7-13-10(17)6-16-11(18)15(4)8-14-16/h8-9,19H,5-7H2,1-4H3,(H,13,17).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 270.33 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 110007349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).