5-Phenyl-1,2,4-triazin-3-amine

C9H8N4 — CID 97081

IUPAC5-phenyl-1,2,4-triazin-3-amine
SMILESC1=CC=C(C=C1)C2=CN=NC(=N2)N
InChIInChI=1S/C9H8N4/c10-9-12-8(6-11-13-9)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13)
InChIKeyIJXBFQUBVHTXGX-UHFFFAOYSA-N
MW172.19 g/mol
LogP0.50
Rot. Bonds1

About 5-Phenyl-1,2,4-triazin-3-amine

5-Phenyl-1,2,4-triazin-3-amine (PubChem CID 97081) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-Phenyl-1,2,4-triazin-3-amine
PubChem CID97081
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name5-phenyl-1,2,4-triazin-3-amine
SMILESC1=CC=C(C=C1)C2=CN=NC(=N2)N
InChIInChI=1S/C9H8N4/c10-9-12-8(6-11-13-9)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13)
InChIKeyIJXBFQUBVHTXGX-UHFFFAOYSA-N
XLogP0.50
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-Phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-Phenyl-1,2,4-triazin-3-amine (CID 97081) is 5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-Phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-Phenyl-1,2,4-triazin-3-amine is C1=CC=C(C=C1)C2=CN=NC(=N2)N.
What is the InChIKey of 5-Phenyl-1,2,4-triazin-3-amine?
The InChIKey is IJXBFQUBVHTXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c10-9-12-8(6-11-13-9)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13).
What are the key properties of 5-Phenyl-1,2,4-triazin-3-amine?
5-Phenyl-1,2,4-triazin-3-amine has a molecular weight of 172.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 97081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).