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

C12H16N4O — CID 6501327

IUPAC2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCCCC3)nc2n1
InChIInChI=1S/C12H16N4O/c1-8-7-10(17)16-12(13-8)14-11(15-16)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14,15)
InChIKeyPCCYQZHJUQIAAU-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.77
Rot. Bonds1

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

2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 6501327) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID6501327
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCCCC3)nc2n1
InChIInChI=1S/C12H16N4O/c1-8-7-10(17)16-12(13-8)14-11(15-16)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14,15)
InChIKeyPCCYQZHJUQIAAU-UHFFFAOYSA-N
XLogP1.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 6501327) is 2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C3CCCCC3)nc2n1.
What is the InChIKey of 2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PCCYQZHJUQIAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-7-10(17)16-12(13-8)14-11(15-16)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 232.29 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 6501327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).