3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine

C11H14N4 — CID 139230155

IUPAC3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cnc2nnc(C3CCCCC3)n2c1
InChIInChI=1S/C11H14N4/c1-2-5-9(6-3-1)10-13-14-11-12-7-4-8-15(10)11/h4,7-9H,1-3,5-6H2
InChIKeyDABZDAHIXCCJPF-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.17
Rot. Bonds1

About 3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine

3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 139230155) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID139230155
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cnc2nnc(C3CCCCC3)n2c1
InChIInChI=1S/C11H14N4/c1-2-5-9(6-3-1)10-13-14-11-12-7-4-8-15(10)11/h4,7-9H,1-3,5-6H2
InChIKeyDABZDAHIXCCJPF-UHFFFAOYSA-N
XLogP2.17
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine (CID 139230155) is 3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine is c1cnc2nnc(C3CCCCC3)n2c1.
What is the InChIKey of 3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is DABZDAHIXCCJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-5-9(6-3-1)10-13-14-11-12-7-4-8-15(10)11/h4,7-9H,1-3,5-6H2.
What are the key properties of 3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine?
3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 202.26 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 139230155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).