4-phenyltriazine

C9H7N3 — CID 11321095

IUPAC4-phenyltriazine
SMILESc1ccc(-c2ccnnn2)cc1
InChIInChI=1S/C9H7N3/c1-2-4-8(5-3-1)9-6-7-10-12-11-9/h1-7H
InChIKeyYUXBNNVWBUTOQZ-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.54
Rot. Bonds1

About 4-phenyltriazine

4-phenyltriazine (PubChem CID 11321095) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 4-phenyltriazine.

Molecular Properties

Compound Name4-phenyltriazine
PubChem CID11321095
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name4-phenyltriazine
SMILESc1ccc(-c2ccnnn2)cc1
InChIInChI=1S/C9H7N3/c1-2-4-8(5-3-1)9-6-7-10-12-11-9/h1-7H
InChIKeyYUXBNNVWBUTOQZ-UHFFFAOYSA-N
XLogP1.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyltriazine?
The IUPAC name of 4-phenyltriazine (CID 11321095) is 4-phenyltriazine.
What is the SMILES notation for 4-phenyltriazine?
The canonical SMILES for 4-phenyltriazine is c1ccc(-c2ccnnn2)cc1.
What is the InChIKey of 4-phenyltriazine?
The InChIKey is YUXBNNVWBUTOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c1-2-4-8(5-3-1)9-6-7-10-12-11-9/h1-7H.
What are the key properties of 4-phenyltriazine?
4-phenyltriazine has a molecular weight of 157.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyltriazine is sourced from PubChem (CID 11321095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).