4-pyrazin-2-yltriazine

C7H5N5 — CID 69484540

IUPAC4-pyrazin-2-yltriazine
SMILESc1cnc(-c2ccnnn2)cn1
InChIInChI=1S/C7H5N5/c1-2-10-12-11-6(1)7-5-8-3-4-9-7/h1-5H
InChIKeyJBAXTNMSCUJEDZ-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.33
Rot. Bonds1

About 4-pyrazin-2-yltriazine

4-pyrazin-2-yltriazine (PubChem CID 69484540) has the molecular formula C7H5N5 and a molecular weight of 159.15 g/mol. Its IUPAC name is 4-pyrazin-2-yltriazine.

Molecular Properties

Compound Name4-pyrazin-2-yltriazine
PubChem CID69484540
Molecular FormulaC7H5N5
Molecular Weight159.15 g/mol
Exact Mass159.05
IUPAC Name4-pyrazin-2-yltriazine
SMILESc1cnc(-c2ccnnn2)cn1
InChIInChI=1S/C7H5N5/c1-2-10-12-11-6(1)7-5-8-3-4-9-7/h1-5H
InChIKeyJBAXTNMSCUJEDZ-UHFFFAOYSA-N
XLogP0.33
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-yltriazine?
The IUPAC name of 4-pyrazin-2-yltriazine (CID 69484540) is 4-pyrazin-2-yltriazine.
What is the SMILES notation for 4-pyrazin-2-yltriazine?
The canonical SMILES for 4-pyrazin-2-yltriazine is c1cnc(-c2ccnnn2)cn1.
What is the InChIKey of 4-pyrazin-2-yltriazine?
The InChIKey is JBAXTNMSCUJEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5/c1-2-10-12-11-6(1)7-5-8-3-4-9-7/h1-5H.
What are the key properties of 4-pyrazin-2-yltriazine?
4-pyrazin-2-yltriazine has a molecular weight of 159.15 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-yltriazine is sourced from PubChem (CID 69484540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).