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

C11H20N4O3 — CID 110007337

IUPACN-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCC(C)C(O)CCNC(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C11H20N4O3/c1-8(2)9(16)4-5-12-10(17)6-15-11(18)14(3)7-13-15/h7-9,16H,4-6H2,1-3H3,(H,12,17)
InChIKeyZMDXQIULODDXLZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.89
Rot. Bonds6

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

N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 110007337) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID110007337
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC NameN-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCC(C)C(O)CCNC(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C11H20N4O3/c1-8(2)9(16)4-5-12-10(17)6-15-11(18)14(3)7-13-15/h7-9,16H,4-6H2,1-3H3,(H,12,17)
InChIKeyZMDXQIULODDXLZ-UHFFFAOYSA-N
XLogP-0.89
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 110007337) is N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is CC(C)C(O)CCNC(=O)Cn1ncn(C)c1=O.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is ZMDXQIULODDXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-8(2)9(16)4-5-12-10(17)6-15-11(18)14(3)7-13-15/h7-9,16H,4-6H2,1-3H3,(H,12,17).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 256.31 g/mol, XLogP of -0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 110007337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).