2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H12N4O — CID 71668649

IUPAC2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCC3)nc2n1
InChIInChI=1S/C10H12N4O/c1-6-5-8(15)14-10(11-6)12-9(13-14)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,11,12,13)
InChIKeyCYCJMGCDNKLTJH-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.99
Rot. Bonds1

About 2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 71668649) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID71668649
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCC3)nc2n1
InChIInChI=1S/C10H12N4O/c1-6-5-8(15)14-10(11-6)12-9(13-14)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,11,12,13)
InChIKeyCYCJMGCDNKLTJH-UHFFFAOYSA-N
XLogP0.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 71668649) is 2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C3CCC3)nc2n1.
What is the InChIKey of 2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CYCJMGCDNKLTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-5-8(15)14-10(11-6)12-9(13-14)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 204.23 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 71668649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).