3-methyl-5-phenyltriazaphosphole

C8H8N3P — CID 14000513

IUPAC3-methyl-5-phenyltriazaphosphole
SMILESCn1nnc(-c2ccccc2)p1
InChIInChI=1S/C8H8N3P/c1-11-10-9-8(12-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyYUWKNUDWHDKABP-UHFFFAOYSA-N
MW177.15 g/mol
LogP2.06
Rot. Bonds1

About 3-methyl-5-phenyltriazaphosphole

3-methyl-5-phenyltriazaphosphole (PubChem CID 14000513) has the molecular formula C8H8N3P and a molecular weight of 177.15 g/mol. Its IUPAC name is 3-methyl-5-phenyltriazaphosphole.

Molecular Properties

Compound Name3-methyl-5-phenyltriazaphosphole
PubChem CID14000513
Molecular FormulaC8H8N3P
Molecular Weight177.15 g/mol
Exact Mass177.05
IUPAC Name3-methyl-5-phenyltriazaphosphole
SMILESCn1nnc(-c2ccccc2)p1
InChIInChI=1S/C8H8N3P/c1-11-10-9-8(12-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyYUWKNUDWHDKABP-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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Related Compounds

2-Methyl-5-phenyl-2H-1,2,4,3-triazaphosphole
CID 12566595
5-Tert-butyl-1-methyl-3-phenyl-1,2,4-diazaphosphole
CID 13809684
3-Tert-butyl-1-methyl-5-phenyl-1,2,4-diazaphosphole
CID 13868933
3-Benzyl-5-trimethylsilanyl-3H-[1,2,3,4]triazaphosphole
CID 13380284
3-Benzyl-5-phenyltriazaphosphole
CID 14000514
2-(5-Phenyltriazaphosphol-3-yl)acetonitrile
CID 14000515
3,5-Diphenyl-4H-1,2,4-diazaphosphole
CID 14000518
3,5-Diphenyl-1,2-diaza-4-phosphanidacyclopenta-2,5-diene
CID 101861870
1-Methyl-3-phenyl-1,2,4-diazaphosphole
CID 13664982
1-Ethyl-5-methyl-3-phenyl-1,2,4-diazaphosphole
CID 13664985
5-Phenyl-3-propan-2-ylthiatriazol-3-ium
CID 15939355
2-(4-Methylphenyl)-1,3,4-selenadiazole
CID 71482573

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyltriazaphosphole?
The IUPAC name of 3-methyl-5-phenyltriazaphosphole (CID 14000513) is 3-methyl-5-phenyltriazaphosphole.
What is the SMILES notation for 3-methyl-5-phenyltriazaphosphole?
The canonical SMILES for 3-methyl-5-phenyltriazaphosphole is Cn1nnc(-c2ccccc2)p1.
What is the InChIKey of 3-methyl-5-phenyltriazaphosphole?
The InChIKey is YUWKNUDWHDKABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3P/c1-11-10-9-8(12-11)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 3-methyl-5-phenyltriazaphosphole?
3-methyl-5-phenyltriazaphosphole 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 3-methyl-5-phenyltriazaphosphole is sourced from PubChem (CID 14000513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).