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

C14H20N3P — CID 100917268

IUPAC3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole
SMILESCCCCn1nnc(-c2c(C)cc(C)cc2C)p1
InChIInChI=1S/C14H20N3P/c1-5-6-7-17-16-15-14(18-17)13-11(3)8-10(2)9-12(13)4/h8-9H,5-7H2,1-4H3
InChIKeyYHICTFGAYSKJTO-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.25
Rot. Bonds4

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

3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole (PubChem CID 100917268) has the molecular formula C14H20N3P and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole.

Molecular Properties

Compound Name3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole
PubChem CID100917268
Molecular FormulaC14H20N3P
Molecular Weight261.31 g/mol
Exact Mass261.14
IUPAC Name3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole
SMILESCCCCn1nnc(-c2c(C)cc(C)cc2C)p1
InChIInChI=1S/C14H20N3P/c1-5-6-7-17-16-15-14(18-17)13-11(3)8-10(2)9-12(13)4/h8-9H,5-7H2,1-4H3
InChIKeyYHICTFGAYSKJTO-UHFFFAOYSA-N
XLogP4.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.25
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-Benzyl-5-tert-butyltriazaphosphole
CID 13360634
3-Methyl-5-(2,4,6-trimethylphenyl)triazaphosphole
CID 100917267

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole?
The IUPAC name of 3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole (CID 100917268) is 3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole.
What is the SMILES notation for 3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole?
The canonical SMILES for 3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole is CCCCn1nnc(-c2c(C)cc(C)cc2C)p1.
What is the InChIKey of 3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole?
The InChIKey is YHICTFGAYSKJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N3P/c1-5-6-7-17-16-15-14(18-17)13-11(3)8-10(2)9-12(13)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole?
3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole has a molecular weight of 261.31 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(2,4,6-trimethylphenyl)triazaphosphole is sourced from PubChem (CID 100917268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).