3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine

C12H10N4 — CID 67251777

IUPAC3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cccc(-c2nnc3cnccn23)c1
InChIInChI=1S/C12H10N4/c1-9-3-2-4-10(7-9)12-15-14-11-8-13-5-6-16(11)12/h2-8H,1H3
InChIKeyPZSWZIFMWVXIEB-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.10
Rot. Bonds1

About 3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine

3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 67251777) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID67251777
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cccc(-c2nnc3cnccn23)c1
InChIInChI=1S/C12H10N4/c1-9-3-2-4-10(7-9)12-15-14-11-8-13-5-6-16(11)12/h2-8H,1H3
InChIKeyPZSWZIFMWVXIEB-UHFFFAOYSA-N
XLogP2.10
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 67251777) is 3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine is Cc1cccc(-c2nnc3cnccn23)c1.
What is the InChIKey of 3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PZSWZIFMWVXIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-9-3-2-4-10(7-9)12-15-14-11-8-13-5-6-16(11)12/h2-8H,1H3.
What are the key properties of 3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 210.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 67251777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).