CID 58064056

C5H5N2O — CID 58064056

IUPAC—
SMILESCn1[c]cncc1=O
InChIInChI=1S/C5H5N2O/c1-7-3-2-6-4-5(7)8/h2,4H,1H3
InChIKeyXWOBEIRQCDIHNX-UHFFFAOYSA-N
MW109.11 g/mol
LogP-0.42
Rot. Bonds

About CID 58064056

CID 58064056 (PubChem CID 58064056) has the molecular formula C5H5N2O and a molecular weight of 109.11 g/mol.

Molecular Properties

Compound NameCID 58064056
PubChem CID58064056
Molecular FormulaC5H5N2O
Molecular Weight109.11 g/mol
Exact Mass109.04
IUPAC Name—
SMILESCn1[c]cncc1=O
InChIInChI=1S/C5H5N2O/c1-7-3-2-6-4-5(7)8/h2,4H,1H3
InChIKeyXWOBEIRQCDIHNX-UHFFFAOYSA-N
XLogP-0.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.11
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58064056?
The IUPAC name of CID 58064056 (CID 58064056) is not available.
What is the SMILES notation for CID 58064056?
The canonical SMILES for CID 58064056 is Cn1[c]cncc1=O.
What is the InChIKey of CID 58064056?
The InChIKey is XWOBEIRQCDIHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2O/c1-7-3-2-6-4-5(7)8/h2,4H,1H3.
What are the key properties of CID 58064056?
CID 58064056 has a molecular weight of 109.11 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58064056 is sourced from PubChem (CID 58064056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).