CID 131854915

C6H5N2O — CID 131854915

IUPAC—
SMILES[NH]C(=O)c1cccnc1
InChIInChI=1S/C6H5N2O/c7-6(9)5-2-1-3-8-4-5/h1-4,7H
InChIKeyNJGWGRKBJVHVCH-UHFFFAOYSA-N
MW121.12 g/mol
LogP0.50
Rot. Bonds1

About CID 131854915

CID 131854915 (PubChem CID 131854915) has the molecular formula C6H5N2O and a molecular weight of 121.12 g/mol.

Molecular Properties

Compound NameCID 131854915
PubChem CID131854915
Molecular FormulaC6H5N2O
Molecular Weight121.12 g/mol
Exact Mass121.04
IUPAC Name—
SMILES[NH]C(=O)c1cccnc1
InChIInChI=1S/C6H5N2O/c7-6(9)5-2-1-3-8-4-5/h1-4,7H
InChIKeyNJGWGRKBJVHVCH-UHFFFAOYSA-N
XLogP0.50
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.12
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 131854915?
The IUPAC name of CID 131854915 (CID 131854915) is not available.
What is the SMILES notation for CID 131854915?
The canonical SMILES for CID 131854915 is [NH]C(=O)c1cccnc1.
What is the InChIKey of CID 131854915?
The InChIKey is NJGWGRKBJVHVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2O/c7-6(9)5-2-1-3-8-4-5/h1-4,7H.
What are the key properties of CID 131854915?
CID 131854915 has a molecular weight of 121.12 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131854915 is sourced from PubChem (CID 131854915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).