2-(5-phenyltriazaphosphol-3-yl)acetonitrile

C9H7N4P — CID 14000515

IUPAC2-(5-phenyltriazaphosphol-3-yl)acetonitrile
SMILESN#CCn1nnc(-c2ccccc2)p1
InChIInChI=1S/C9H7N4P/c10-6-7-13-12-11-9(14-13)8-4-2-1-3-5-8/h1-5H,7H2
InChIKeyMFFJPVBSJAUZMH-UHFFFAOYSA-N
MW202.16 g/mol
LogP2.05
Rot. Bonds2

About 2-(5-phenyltriazaphosphol-3-yl)acetonitrile

2-(5-phenyltriazaphosphol-3-yl)acetonitrile (PubChem CID 14000515) has the molecular formula C9H7N4P and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-(5-phenyltriazaphosphol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-phenyltriazaphosphol-3-yl)acetonitrile
PubChem CID14000515
Molecular FormulaC9H7N4P
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name2-(5-phenyltriazaphosphol-3-yl)acetonitrile
SMILESN#CCn1nnc(-c2ccccc2)p1
InChIInChI=1S/C9H7N4P/c10-6-7-13-12-11-9(14-13)8-4-2-1-3-5-8/h1-5H,7H2
InChIKeyMFFJPVBSJAUZMH-UHFFFAOYSA-N
XLogP2.05
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Phenyl-2H-tetrazol-2-yl)acetonitrile
CID 14415260
3-Methyl-5-phenyltriazaphosphole
CID 14000513
3-Benzyl-5-phenyltriazaphosphole
CID 14000514
3-Benzyl-5-tert-butyltriazaphosphole
CID 13360634
3-phenyl-4H-1,2,4-diazaphosphole
CID 23413742

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltriazaphosphol-3-yl)acetonitrile?
The IUPAC name of 2-(5-phenyltriazaphosphol-3-yl)acetonitrile (CID 14000515) is 2-(5-phenyltriazaphosphol-3-yl)acetonitrile.
What is the SMILES notation for 2-(5-phenyltriazaphosphol-3-yl)acetonitrile?
The canonical SMILES for 2-(5-phenyltriazaphosphol-3-yl)acetonitrile is N#CCn1nnc(-c2ccccc2)p1.
What is the InChIKey of 2-(5-phenyltriazaphosphol-3-yl)acetonitrile?
The InChIKey is MFFJPVBSJAUZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N4P/c10-6-7-13-12-11-9(14-13)8-4-2-1-3-5-8/h1-5H,7H2.
What are the key properties of 2-(5-phenyltriazaphosphol-3-yl)acetonitrile?
2-(5-phenyltriazaphosphol-3-yl)acetonitrile has a molecular weight of 202.16 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltriazaphosphol-3-yl)acetonitrile is sourced from PubChem (CID 14000515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).