8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine

C11H8ClN5 — CID 23824796

IUPAC8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1nc(-c2ccncc2)n2cnnc2c1Cl
InChIInChI=1S/C11H8ClN5/c1-7-9(12)11-16-14-6-17(11)10(15-7)8-2-4-13-5-3-8/h2-6H,1H3
InChIKeyFCIJRSISUUUWTQ-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.15
Rot. Bonds1

About 8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine

8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 23824796) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID23824796
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1nc(-c2ccncc2)n2cnnc2c1Cl
InChIInChI=1S/C11H8ClN5/c1-7-9(12)11-16-14-6-17(11)10(15-7)8-2-4-13-5-3-8/h2-6H,1H3
InChIKeyFCIJRSISUUUWTQ-UHFFFAOYSA-N
XLogP2.15
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 23824796) is 8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1nc(-c2ccncc2)n2cnnc2c1Cl.
What is the InChIKey of 8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is FCIJRSISUUUWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c1-7-9(12)11-16-14-6-17(11)10(15-7)8-2-4-13-5-3-8/h2-6H,1H3.
What are the key properties of 8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 245.67 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 23824796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).