3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole

C12H15N2P — CID 15961913

IUPAC3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole
SMILESCC(C)(C)c1nnc(-c2ccccc2)[pH]1
InChIInChI=1S/C12H15N2P/c1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9/h4-8,15H,1-3H3
InChIKeyHIBPEWSKKOCOKB-UHFFFAOYSA-N
MW218.24 g/mol
LogP3.47
Rot. Bonds1

About 3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole

3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole (PubChem CID 15961913) has the molecular formula C12H15N2P and a molecular weight of 218.24 g/mol. Its IUPAC name is 3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole.

Molecular Properties

Compound Name3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole
PubChem CID15961913
Molecular FormulaC12H15N2P
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole
SMILESCC(C)(C)c1nnc(-c2ccccc2)[pH]1
InChIInChI=1S/C12H15N2P/c1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9/h4-8,15H,1-3H3
InChIKeyHIBPEWSKKOCOKB-UHFFFAOYSA-N
XLogP3.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-Methyl-3,5-diphenyl-1H-1,2,4-diazaphosphole
CID 86106878
2,5-Diphenyl-1,3,4-selenadiazole
CID 13866377
3-Methyl-5-phenyltriazaphosphole
CID 14000513
3,5-Diphenyl-4H-1,2,4-diazaphosphole
CID 14000518
3,5-Diphenyl-1,2-diaza-4-phosphanidacyclopenta-2,5-diene
CID 101861870
5-Tert-butyl-3-phenyl-1,2,4-thiazaphosphole
CID 5325068
1-Methyl-3-phenyl-1,2,4-diazaphosphole
CID 13664982
1-Ethyl-5-methyl-3-phenyl-1,2,4-diazaphosphole
CID 13664985
2,5-Bis(4-methylphenyl)-1,3,4-selenadiazole
CID 21856249
2-(4-Methylphenyl)-1,3,4-selenadiazole
CID 71482573

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole?
The IUPAC name of 3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole (CID 15961913) is 3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole.
What is the SMILES notation for 3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole?
The canonical SMILES for 3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole is CC(C)(C)c1nnc(-c2ccccc2)[pH]1.
What is the InChIKey of 3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole?
The InChIKey is HIBPEWSKKOCOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2P/c1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9/h4-8,15H,1-3H3.
What are the key properties of 3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole?
3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole has a molecular weight of 218.24 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole is sourced from PubChem (CID 15961913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).