1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone

C12H14N4O — CID 71668653

IUPAC1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2nc(C3CCC3)nn2c1C
InChIInChI=1S/C12H14N4O/c1-7-10(8(2)17)6-13-12-14-11(15-16(7)12)9-4-3-5-9/h6,9H,3-5H2,1-2H3
InChIKeyNAAVCTYTXXKBCZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.90
Rot. Bonds2

About 1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone

1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 71668653) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID71668653
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2nc(C3CCC3)nn2c1C
InChIInChI=1S/C12H14N4O/c1-7-10(8(2)17)6-13-12-14-11(15-16(7)12)9-4-3-5-9/h6,9H,3-5H2,1-2H3
InChIKeyNAAVCTYTXXKBCZ-UHFFFAOYSA-N
XLogP1.90
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 71668653) is 1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is CC(=O)c1cnc2nc(C3CCC3)nn2c1C.
What is the InChIKey of 1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is NAAVCTYTXXKBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-10(8(2)17)6-13-12-14-11(15-16(7)12)9-4-3-5-9/h6,9H,3-5H2,1-2H3.
What are the key properties of 1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 230.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 71668653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).