(5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide

C4N4P- — CID 23414030

IUPAC(5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide
SMILESN#CC1=NP=NC1=C=[N-]
InChIInChI=1S/C4N4P/c5-1-3-4(2-6)8-9-7-3/q-1
InChIKeyKTEDJLHXZWDAPH-UHFFFAOYSA-N
MW135.05 g/mol
LogP1.13
Rot. Bonds

About (5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide

(5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide (PubChem CID 23414030) has the molecular formula C4N4P- and a molecular weight of 135.05 g/mol. Its IUPAC name is (5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide.

Molecular Properties

Compound Name(5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide
PubChem CID23414030
Molecular FormulaC4N4P-
Molecular Weight135.05 g/mol
Exact Mass134.99
IUPAC Name(5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide
SMILESN#CC1=NP=NC1=C=[N-]
InChIInChI=1S/C4N4P/c5-1-3-4(2-6)8-9-7-3/q-1
InChIKeyKTEDJLHXZWDAPH-UHFFFAOYSA-N
XLogP1.13
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.05
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide?
The IUPAC name of (5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide (CID 23414030) is (5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide.
What is the SMILES notation for (5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide?
The canonical SMILES for (5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide is N#CC1=NP=NC1=C=[N-].
What is the InChIKey of (5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide?
The InChIKey is KTEDJLHXZWDAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4N4P/c5-1-3-4(2-6)8-9-7-3/q-1.
What are the key properties of (5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide?
(5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide has a molecular weight of 135.05 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-1,3,2-diazaphosphol-4-ylidene)methylideneazanide is sourced from PubChem (CID 23414030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).