CID 57417106

C5H5N2O2 — CID 57417106

IUPAC—
SMILESCc1cnc([O])[nH]c1=O
InChIInChI=1S/C5H5N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H,6,7,8)
InChIKeyNMMMHGDALYOWTG-UHFFFAOYSA-N
MW125.11 g/mol
LogP0.22
Rot. Bonds

About CID 57417106

CID 57417106 (PubChem CID 57417106) has the molecular formula C5H5N2O2 and a molecular weight of 125.11 g/mol.

Molecular Properties

Compound NameCID 57417106
PubChem CID57417106
Molecular FormulaC5H5N2O2
Molecular Weight125.11 g/mol
Exact Mass125.04
IUPAC Name—
SMILESCc1cnc([O])[nH]c1=O
InChIInChI=1S/C5H5N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H,6,7,8)
InChIKeyNMMMHGDALYOWTG-UHFFFAOYSA-N
XLogP0.22
TPSA65.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.11
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 57417106?
The IUPAC name of CID 57417106 (CID 57417106) is not available.
What is the SMILES notation for CID 57417106?
The canonical SMILES for CID 57417106 is Cc1cnc([O])[nH]c1=O.
What is the InChIKey of CID 57417106?
The InChIKey is NMMMHGDALYOWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H,6,7,8).
What are the key properties of CID 57417106?
CID 57417106 has a molecular weight of 125.11 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57417106 is sourced from PubChem (CID 57417106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).