N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C14H24N4O3 — CID 110007758

IUPACN-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NC(CCO)C2CCCCC2)c1=O
InChIInChI=1S/C14H24N4O3/c1-17-10-15-18(14(17)21)9-13(20)16-12(7-8-19)11-5-3-2-4-6-11/h10-12,19H,2-9H2,1H3,(H,16,20)
InChIKeyZZNDVHWPFOEVSL-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.03
Rot. Bonds6

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

N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 110007758) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID110007758
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NC(CCO)C2CCCCC2)c1=O
InChIInChI=1S/C14H24N4O3/c1-17-10-15-18(14(17)21)9-13(20)16-12(7-8-19)11-5-3-2-4-6-11/h10-12,19H,2-9H2,1H3,(H,16,20)
InChIKeyZZNDVHWPFOEVSL-UHFFFAOYSA-N
XLogP0.03
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 110007758) is N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)NC(CCO)C2CCCCC2)c1=O.
What is the InChIKey of N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is ZZNDVHWPFOEVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-17-10-15-18(14(17)21)9-13(20)16-12(7-8-19)11-5-3-2-4-6-11/h10-12,19H,2-9H2,1H3,(H,16,20).
What are the key properties of N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 110007758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).