5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C12H11N5 — CID 934656

IUPAC5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C12H11N5/c1-8-6-9(2)17-12(14-8)15-11(16-17)10-4-3-5-13-7-10/h3-7H,1-2H3
InChIKeyXKYQNJLATIINOA-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.80
Rot. Bonds1

About 5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 934656) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID934656
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C12H11N5/c1-8-6-9(2)17-12(14-8)15-11(16-17)10-4-3-5-13-7-10/h3-7H,1-2H3
InChIKeyXKYQNJLATIINOA-UHFFFAOYSA-N
XLogP1.80
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 934656) is 5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(-c3cccnc3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XKYQNJLATIINOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-8-6-9(2)17-12(14-8)15-11(16-17)10-4-3-5-13-7-10/h3-7H,1-2H3.
What are the key properties of 5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 225.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 934656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).