CID 57431433

C4H5N2 — CID 57431433

IUPAC—
SMILESCC1=C[N]C=N1
InChIInChI=1S/C4H5N2/c1-4-2-5-3-6-4/h2-3H,1H3
InChIKeyXDKUKGIJDNUFGK-UHFFFAOYSA-N
MW81.10 g/mol
LogP0.49
Rot. Bonds

About CID 57431433

CID 57431433 (PubChem CID 57431433) has the molecular formula C4H5N2 and a molecular weight of 81.10 g/mol.

Molecular Properties

Compound NameCID 57431433
PubChem CID57431433
Molecular FormulaC4H5N2
Molecular Weight81.10 g/mol
Exact Mass81.05
IUPAC Name—
SMILESCC1=C[N]C=N1
InChIInChI=1S/C4H5N2/c1-4-2-5-3-6-4/h2-3H,1H3
InChIKeyXDKUKGIJDNUFGK-UHFFFAOYSA-N
XLogP0.49
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.10
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 57431433?
The IUPAC name of CID 57431433 (CID 57431433) is not available.
What is the SMILES notation for CID 57431433?
The canonical SMILES for CID 57431433 is CC1=C[N]C=N1.
What is the InChIKey of CID 57431433?
The InChIKey is XDKUKGIJDNUFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2/c1-4-2-5-3-6-4/h2-3H,1H3.
What are the key properties of CID 57431433?
CID 57431433 has a molecular weight of 81.10 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57431433 is sourced from PubChem (CID 57431433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).