8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine

C10H9ClN6 — CID 66128415

IUPAC8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cc(-c2nnc3c(Cl)nccn23)n(C)n1
InChIInChI=1S/C10H9ClN6/c1-6-5-7(16(2)15-6)9-13-14-10-8(11)12-3-4-17(9)10/h3-5H,1-2H3
InChIKeyCPKQRILSHNRJRP-UHFFFAOYSA-N
MW248.68 g/mol
LogP1.49
Rot. Bonds1

About 8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 66128415) has the molecular formula C10H9ClN6 and a molecular weight of 248.68 g/mol. Its IUPAC name is 8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID66128415
Molecular FormulaC10H9ClN6
Molecular Weight248.68 g/mol
Exact Mass248.06
IUPAC Name8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cc(-c2nnc3c(Cl)nccn23)n(C)n1
InChIInChI=1S/C10H9ClN6/c1-6-5-7(16(2)15-6)9-13-14-10-8(11)12-3-4-17(9)10/h3-5H,1-2H3
InChIKeyCPKQRILSHNRJRP-UHFFFAOYSA-N
XLogP1.49
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 66128415) is 8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine is Cc1cc(-c2nnc3c(Cl)nccn23)n(C)n1.
What is the InChIKey of 8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CPKQRILSHNRJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6/c1-6-5-7(16(2)15-6)9-13-14-10-8(11)12-3-4-17(9)10/h3-5H,1-2H3.
What are the key properties of 8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 248.68 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 66128415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).