2-methyl-5-phenyl-1,2,4,3-triazaphosphole

C8H8N3P — CID 12566595

IUPAC2-methyl-5-phenyl-1,2,4,3-triazaphosphole
SMILESCn1nc(-c2ccccc2)np1
InChIInChI=1S/C8H8N3P/c1-11-9-8(10-12-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyOVZRPSHWOBUROA-UHFFFAOYSA-N
MW177.15 g/mol
LogP2.06
Rot. Bonds1

About 2-methyl-5-phenyl-1,2,4,3-triazaphosphole

2-methyl-5-phenyl-1,2,4,3-triazaphosphole (PubChem CID 12566595) has the molecular formula C8H8N3P and a molecular weight of 177.15 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1,2,4,3-triazaphosphole.

Molecular Properties

Compound Name2-methyl-5-phenyl-1,2,4,3-triazaphosphole
PubChem CID12566595
Molecular FormulaC8H8N3P
Molecular Weight177.15 g/mol
Exact Mass177.05
IUPAC Name2-methyl-5-phenyl-1,2,4,3-triazaphosphole
SMILESCn1nc(-c2ccccc2)np1
InChIInChI=1S/C8H8N3P/c1-11-9-8(10-12-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyOVZRPSHWOBUROA-UHFFFAOYSA-N
XLogP2.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1,2,4,3-triazaphosphole?
The IUPAC name of 2-methyl-5-phenyl-1,2,4,3-triazaphosphole (CID 12566595) is 2-methyl-5-phenyl-1,2,4,3-triazaphosphole.
What is the SMILES notation for 2-methyl-5-phenyl-1,2,4,3-triazaphosphole?
The canonical SMILES for 2-methyl-5-phenyl-1,2,4,3-triazaphosphole is Cn1nc(-c2ccccc2)np1.
What is the InChIKey of 2-methyl-5-phenyl-1,2,4,3-triazaphosphole?
The InChIKey is OVZRPSHWOBUROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3P/c1-11-9-8(10-12-11)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 2-methyl-5-phenyl-1,2,4,3-triazaphosphole?
2-methyl-5-phenyl-1,2,4,3-triazaphosphole has a molecular weight of 177.15 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1,2,4,3-triazaphosphole is sourced from PubChem (CID 12566595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).