3-benzyl-5-tert-butyltriazaphosphole

C12H16N3P — CID 13360634

IUPAC3-benzyl-5-tert-butyltriazaphosphole
SMILESCC(C)(C)c1nnn(Cc2ccccc2)p1
InChIInChI=1S/C12H16N3P/c1-12(2,3)11-13-14-15(16-11)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyGGZYBADQYUNVJY-UHFFFAOYSA-N
MW233.25 g/mol
LogP3.20
Rot. Bonds2

About 3-benzyl-5-tert-butyltriazaphosphole

3-benzyl-5-tert-butyltriazaphosphole (PubChem CID 13360634) has the molecular formula C12H16N3P and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-benzyl-5-tert-butyltriazaphosphole.

Molecular Properties

Compound Name3-benzyl-5-tert-butyltriazaphosphole
PubChem CID13360634
Molecular FormulaC12H16N3P
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name3-benzyl-5-tert-butyltriazaphosphole
SMILESCC(C)(C)c1nnn(Cc2ccccc2)p1
InChIInChI=1S/C12H16N3P/c1-12(2,3)11-13-14-15(16-11)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyGGZYBADQYUNVJY-UHFFFAOYSA-N
XLogP3.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-5-trimethylsilanyl-3H-[1,2,3,4]triazaphosphole
CID 13380284
3-Methyl-5-phenyltriazaphosphole
CID 14000513
3-Benzyl-5-phenyltriazaphosphole
CID 14000514
2-(5-Phenyltriazaphosphol-3-yl)acetonitrile
CID 14000515
3-Butyl-5-(2,4,6-trimethylphenyl)triazaphosphole
CID 100917268
3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole
CID 15961913

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-tert-butyltriazaphosphole?
The IUPAC name of 3-benzyl-5-tert-butyltriazaphosphole (CID 13360634) is 3-benzyl-5-tert-butyltriazaphosphole.
What is the SMILES notation for 3-benzyl-5-tert-butyltriazaphosphole?
The canonical SMILES for 3-benzyl-5-tert-butyltriazaphosphole is CC(C)(C)c1nnn(Cc2ccccc2)p1.
What is the InChIKey of 3-benzyl-5-tert-butyltriazaphosphole?
The InChIKey is GGZYBADQYUNVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3P/c1-12(2,3)11-13-14-15(16-11)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of 3-benzyl-5-tert-butyltriazaphosphole?
3-benzyl-5-tert-butyltriazaphosphole has a molecular weight of 233.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-tert-butyltriazaphosphole is sourced from PubChem (CID 13360634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).