CID 21342970

C4H12N3P — CID 21342970

IUPAC—
SMILESC/N=P(=N\C)/N(C)C
InChIInChI=1S/C4H12N3P/c1-5-8(6-2)7(3)4/h1-4H3
InChIKeyIIZIRNVRTIKICN-UHFFFAOYSA-N
MW133.13 g/mol
LogP1.57
Rot. Bonds1

About CID 21342970

CID 21342970 (PubChem CID 21342970) has the molecular formula C4H12N3P and a molecular weight of 133.13 g/mol.

Molecular Properties

Compound NameCID 21342970
PubChem CID21342970
Molecular FormulaC4H12N3P
Molecular Weight133.13 g/mol
Exact Mass133.08
IUPAC Name—
SMILESC/N=P(=N\C)/N(C)C
InChIInChI=1S/C4H12N3P/c1-5-8(6-2)7(3)4/h1-4H3
InChIKeyIIZIRNVRTIKICN-UHFFFAOYSA-N
XLogP1.57
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21342970?
The IUPAC name of CID 21342970 (CID 21342970) is not available.
What is the SMILES notation for CID 21342970?
The canonical SMILES for CID 21342970 is C/N=P(=N\C)/N(C)C.
What is the InChIKey of CID 21342970?
The InChIKey is IIZIRNVRTIKICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N3P/c1-5-8(6-2)7(3)4/h1-4H3.
What are the key properties of CID 21342970?
CID 21342970 has a molecular weight of 133.13 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21342970 is sourced from PubChem (CID 21342970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).