3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole

C11H14N3P — CID 100917267

IUPAC3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole
SMILESCc1cc(C)c(-c2nnn(C)p2)c(C)c1
InChIInChI=1S/C11H14N3P/c1-7-5-8(2)10(9(3)6-7)11-12-13-14(4)15-11/h5-6H,1-4H3
InChIKeyZJTWAYRMRZPAFD-UHFFFAOYSA-N
MW219.23 g/mol
LogP2.99
Rot. Bonds1

About 3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole

3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole (PubChem CID 100917267) has the molecular formula C11H14N3P and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole.

Molecular Properties

Compound Name3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole
PubChem CID100917267
Molecular FormulaC11H14N3P
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole
SMILESCc1cc(C)c(-c2nnn(C)p2)c(C)c1
InChIInChI=1S/C11H14N3P/c1-7-5-8(2)10(9(3)6-7)11-12-13-14(4)15-11/h5-6H,1-4H3
InChIKeyZJTWAYRMRZPAFD-UHFFFAOYSA-N
XLogP2.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-phenyltriazaphosphole
CID 14000513
5-(2,4,6-Trimethylphenyl)thiatriazole
CID 15121694
3-Butyl-5-(2,4,6-trimethylphenyl)triazaphosphole
CID 100917268

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole?
The IUPAC name of 3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole (CID 100917267) is 3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole.
What is the SMILES notation for 3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole?
The canonical SMILES for 3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole is Cc1cc(C)c(-c2nnn(C)p2)c(C)c1.
What is the InChIKey of 3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole?
The InChIKey is ZJTWAYRMRZPAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N3P/c1-7-5-8(2)10(9(3)6-7)11-12-13-14(4)15-11/h5-6H,1-4H3.
What are the key properties of 3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole?
3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole has a molecular weight of 219.23 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,4,6-trimethylphenyl)triazaphosphole is sourced from PubChem (CID 100917267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).