CID 57480009

C3H4N2+ — CID 57480009

IUPAC—
SMILESC1=C[NH+]N=C1
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-4H/q+1
InChIKeyINYIKUOFHILTLV-UHFFFAOYSA-N
MW68.08 g/mol
LogP-1.15
Rot. Bonds

About CID 57480009

CID 57480009 (PubChem CID 57480009) has the molecular formula C3H4N2+ and a molecular weight of 68.08 g/mol.

Molecular Properties

Compound NameCID 57480009
PubChem CID57480009
Molecular FormulaC3H4N2+
Molecular Weight68.08 g/mol
Exact Mass68.04
IUPAC Name—
SMILESC1=C[NH+]N=C1
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-4H/q+1
InChIKeyINYIKUOFHILTLV-UHFFFAOYSA-N
XLogP-1.15
TPSA27.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.08
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 57480009?
The IUPAC name of CID 57480009 (CID 57480009) is not available.
What is the SMILES notation for CID 57480009?
The canonical SMILES for CID 57480009 is C1=C[NH+]N=C1.
What is the InChIKey of CID 57480009?
The InChIKey is INYIKUOFHILTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-4H/q+1.
What are the key properties of CID 57480009?
CID 57480009 has a molecular weight of 68.08 g/mol, XLogP of -1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57480009 is sourced from PubChem (CID 57480009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).