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

C8H8N4 — CID 139230156

IUPAC3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cnc2nnc(C3CC3)n2c1
InChIInChI=1S/C8H8N4/c1-4-9-8-11-10-7(6-2-3-6)12(8)5-1/h1,4-6H,2-3H2
InChIKeyXCSJINXSLGOIOZ-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.00
Rot. Bonds1

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

3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 139230156) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID139230156
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cnc2nnc(C3CC3)n2c1
InChIInChI=1S/C8H8N4/c1-4-9-8-11-10-7(6-2-3-6)12(8)5-1/h1,4-6H,2-3H2
InChIKeyXCSJINXSLGOIOZ-UHFFFAOYSA-N
XLogP1.00
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine (CID 139230156) is 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine is c1cnc2nnc(C3CC3)n2c1.
What is the InChIKey of 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is XCSJINXSLGOIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-4-9-8-11-10-7(6-2-3-6)12(8)5-1/h1,4-6H,2-3H2.
What are the key properties of 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine?
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 160.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 139230156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).