CID 131868800

C3H2N3 — CID 131868800

IUPAC—
SMILESN#C[C](N)C#N
InChIInChI=1S/C3H2N3/c4-1-3(6)2-5/h6H2
InChIKeyFCZOYLBFKAKCCR-UHFFFAOYSA-N
MW80.07 g/mol
LogP-0.48
Rot. Bonds

About CID 131868800

CID 131868800 (PubChem CID 131868800) has the molecular formula C3H2N3 and a molecular weight of 80.07 g/mol.

Molecular Properties

Compound NameCID 131868800
PubChem CID131868800
Molecular FormulaC3H2N3
Molecular Weight80.07 g/mol
Exact Mass80.02
IUPAC Name—
SMILESN#C[C](N)C#N
InChIInChI=1S/C3H2N3/c4-1-3(6)2-5/h6H2
InChIKeyFCZOYLBFKAKCCR-UHFFFAOYSA-N
XLogP-0.48
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.07
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 131868800?
The IUPAC name of CID 131868800 (CID 131868800) is not available.
What is the SMILES notation for CID 131868800?
The canonical SMILES for CID 131868800 is N#C[C](N)C#N.
What is the InChIKey of CID 131868800?
The InChIKey is FCZOYLBFKAKCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N3/c4-1-3(6)2-5/h6H2.
What are the key properties of CID 131868800?
CID 131868800 has a molecular weight of 80.07 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131868800 is sourced from PubChem (CID 131868800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).