5-tert-butyl-3-phenyltriazaphosphole

C11H14N3P — CID 10976954

IUPAC5-tert-butyl-3-phenyltriazaphosphole
SMILESCC(C)(C)c1nnn(-c2ccccc2)p1
InChIInChI=1S/C11H14N3P/c1-11(2,3)10-12-13-14(15-10)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyBXVQHNCRJLKGCY-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.14
Rot. Bonds1

About 5-tert-butyl-3-phenyltriazaphosphole

5-tert-butyl-3-phenyltriazaphosphole (PubChem CID 10976954) has the molecular formula C11H14N3P and a molecular weight of 219.23 g/mol. Its IUPAC name is 5-tert-butyl-3-phenyltriazaphosphole.

Molecular Properties

Compound Name5-tert-butyl-3-phenyltriazaphosphole
PubChem CID10976954
Molecular FormulaC11H14N3P
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name5-tert-butyl-3-phenyltriazaphosphole
SMILESCC(C)(C)c1nnn(-c2ccccc2)p1
InChIInChI=1S/C11H14N3P/c1-11(2,3)10-12-13-14(15-10)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyBXVQHNCRJLKGCY-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2H-1,2,3-Diazaphosphole, 5-methyl-2-phenyl-
CID 2784572
1-Phenyl-1,2,3,5-diazadiphosphole
CID 13397213
4-Tert-butyl-5-methyl-2-phenyldiazaphosphole
CID 85577960
2-(4-Fluorophenyl)-5-methyldiazaphosphole
CID 138655007
2-Phenyl-4-methyldiazaphosphole
CID 13291354
3,5-Diphenyltriazaphosphole
CID 14000517
4-(Dichlorophosphino)-5-methyl-2-phenyl-2h-1,2,3-diaza phosphol
CID 129744627
4,5-Dimethyl-2-phenyldiazaphosphole
CID 13839378
5-Ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
CID 100943731

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-phenyltriazaphosphole?
The IUPAC name of 5-tert-butyl-3-phenyltriazaphosphole (CID 10976954) is 5-tert-butyl-3-phenyltriazaphosphole.
What is the SMILES notation for 5-tert-butyl-3-phenyltriazaphosphole?
The canonical SMILES for 5-tert-butyl-3-phenyltriazaphosphole is CC(C)(C)c1nnn(-c2ccccc2)p1.
What is the InChIKey of 5-tert-butyl-3-phenyltriazaphosphole?
The InChIKey is BXVQHNCRJLKGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N3P/c1-11(2,3)10-12-13-14(15-10)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of 5-tert-butyl-3-phenyltriazaphosphole?
5-tert-butyl-3-phenyltriazaphosphole has a molecular weight of 219.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-phenyltriazaphosphole is sourced from PubChem (CID 10976954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).