N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide

C12H18N4O2 — CID 75506478

IUPACN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2n[nH]c(C3CCC3)n2)O1
InChIInChI=1S/C12H18N4O2/c1-7-5-6-9(18-7)11(17)14-12-13-10(15-16-12)8-3-2-4-8/h7-9H,2-6H2,1H3,(H2,13,14,15,16,17)
InChIKeyMASYHHNOQXWSEZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.58
Rot. Bonds3

About N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide

N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide (PubChem CID 75506478) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide
PubChem CID75506478
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2n[nH]c(C3CCC3)n2)O1
InChIInChI=1S/C12H18N4O2/c1-7-5-6-9(18-7)11(17)14-12-13-10(15-16-12)8-3-2-4-8/h7-9H,2-6H2,1H3,(H2,13,14,15,16,17)
InChIKeyMASYHHNOQXWSEZ-UHFFFAOYSA-N
XLogP1.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide (CID 75506478) is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2n[nH]c(C3CCC3)n2)O1.
What is the InChIKey of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide?
The InChIKey is MASYHHNOQXWSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7-5-6-9(18-7)11(17)14-12-13-10(15-16-12)8-3-2-4-8/h7-9H,2-6H2,1H3,(H2,13,14,15,16,17).
What are the key properties of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide?
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 75506478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).