4-methyl-2-phenyldiazaphosphole

C9H9N2P — CID 13291354

IUPAC4-methyl-2-phenyldiazaphosphole
SMILESCc1cnn(-c2ccccc2)p1
InChIInChI=1S/C9H9N2P/c1-8-7-10-11(12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyOUWUDYPFVXJIEH-UHFFFAOYSA-N
MW176.16 g/mol
LogP2.76
Rot. Bonds1

About 4-methyl-2-phenyldiazaphosphole

4-methyl-2-phenyldiazaphosphole (PubChem CID 13291354) has the molecular formula C9H9N2P and a molecular weight of 176.16 g/mol. Its IUPAC name is 4-methyl-2-phenyldiazaphosphole.

Molecular Properties

Compound Name4-methyl-2-phenyldiazaphosphole
PubChem CID13291354
Molecular FormulaC9H9N2P
Molecular Weight176.16 g/mol
Exact Mass176.05
IUPAC Name4-methyl-2-phenyldiazaphosphole
SMILESCc1cnn(-c2ccccc2)p1
InChIInChI=1S/C9H9N2P/c1-8-7-10-11(12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyOUWUDYPFVXJIEH-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-1,2,3-Diazaphosphole, 5-methyl-2-phenyl-
CID 2784572
2-Phenyl-1,2,3-triazole
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4-Methyl-2-phenyl-2h-1,2,3-triazole
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1-[(E)-Phenyldiazenyl]-1H-pyrazole
CID 19834442
2-(4-Fluorophenyl)-4-methyltriazole
CID 89409834
5-Tert-butyl-3-phenyltriazaphosphole
CID 10976954
2-Phenyl-diazaphosphole
CID 85700396
4-Tert-butyl-2-phenyltriazole
CID 58319534
4-(2-Methylpropyl)-2-phenyltriazole
CID 67986686
4-Ethyl-2-phenyltriazole
CID 68199066
N-bromo-N-phenylpyrazol-1-amine
CID 88403460
2-Phenyl-4-propan-2-yltriazole
CID 90364228

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyldiazaphosphole?
The IUPAC name of 4-methyl-2-phenyldiazaphosphole (CID 13291354) is 4-methyl-2-phenyldiazaphosphole.
What is the SMILES notation for 4-methyl-2-phenyldiazaphosphole?
The canonical SMILES for 4-methyl-2-phenyldiazaphosphole is Cc1cnn(-c2ccccc2)p1.
What is the InChIKey of 4-methyl-2-phenyldiazaphosphole?
The InChIKey is OUWUDYPFVXJIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2P/c1-8-7-10-11(12-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 4-methyl-2-phenyldiazaphosphole?
4-methyl-2-phenyldiazaphosphole has a molecular weight of 176.16 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyldiazaphosphole is sourced from PubChem (CID 13291354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).