CID 59694793

C6H8N2O — CID 59694793

IUPAC—
SMILES[CH]CCNc1ccon1
InChIInChI=1S/C6H8N2O/c1-2-4-7-6-3-5-9-8-6/h1,3,5H,2,4H2,(H,7,8)
InChIKeyMYWKEJATEPDWAC-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.19
Rot. Bonds3

About CID 59694793

CID 59694793 (PubChem CID 59694793) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol.

Molecular Properties

Compound NameCID 59694793
PubChem CID59694793
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name—
SMILES[CH]CCNc1ccon1
InChIInChI=1S/C6H8N2O/c1-2-4-7-6-3-5-9-8-6/h1,3,5H,2,4H2,(H,7,8)
InChIKeyMYWKEJATEPDWAC-UHFFFAOYSA-N
XLogP1.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59694793?
The IUPAC name of CID 59694793 (CID 59694793) is not available.
What is the SMILES notation for CID 59694793?
The canonical SMILES for CID 59694793 is [CH]CCNc1ccon1.
What is the InChIKey of CID 59694793?
The InChIKey is MYWKEJATEPDWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-4-7-6-3-5-9-8-6/h1,3,5H,2,4H2,(H,7,8).
What are the key properties of CID 59694793?
CID 59694793 has a molecular weight of 124.14 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694793 is sourced from PubChem (CID 59694793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).