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

C10H7N5 — CID 39045153

IUPAC5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1ccc(-c2ccnc3nncn23)nc1
InChIInChI=1S/C10H7N5/c1-2-5-11-8(3-1)9-4-6-12-10-14-13-7-15(9)10/h1-7H
InChIKeyRILHHERIOOIQTH-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.19
Rot. Bonds1

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

5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 39045153) has the molecular formula C10H7N5 and a molecular weight of 197.20 g/mol. Its IUPAC name is 5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID39045153
Molecular FormulaC10H7N5
Molecular Weight197.20 g/mol
Exact Mass197.07
IUPAC Name5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1ccc(-c2ccnc3nncn23)nc1
InChIInChI=1S/C10H7N5/c1-2-5-11-8(3-1)9-4-6-12-10-14-13-7-15(9)10/h1-7H
InChIKeyRILHHERIOOIQTH-UHFFFAOYSA-N
XLogP1.19
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine (CID 39045153) is 5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine is c1ccc(-c2ccnc3nncn23)nc1.
What is the InChIKey of 5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is RILHHERIOOIQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5/c1-2-5-11-8(3-1)9-4-6-12-10-14-13-7-15(9)10/h1-7H.
What are the key properties of 5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 197.20 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 39045153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).