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

C13H24N4O3 — CID 110008232

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C13H24N4O3/c1-9(2)11(19)13(3,4)7-14-10(18)6-17-12(20)16(5)8-15-17/h8-9,11,19H,6-7H2,1-5H3,(H,14,18)
InChIKeyLHUGYDPOCDFTJJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.26
Rot. Bonds6

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

N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 110008232) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID110008232
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C13H24N4O3/c1-9(2)11(19)13(3,4)7-14-10(18)6-17-12(20)16(5)8-15-17/h8-9,11,19H,6-7H2,1-5H3,(H,14,18)
InChIKeyLHUGYDPOCDFTJJ-UHFFFAOYSA-N
XLogP-0.26
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 110008232) is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is CC(C)C(O)C(C)(C)CNC(=O)Cn1ncn(C)c1=O.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is LHUGYDPOCDFTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-9(2)11(19)13(3,4)7-14-10(18)6-17-12(20)16(5)8-15-17/h8-9,11,19H,6-7H2,1-5H3,(H,14,18).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 284.36 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 110008232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).