CID 59954773

C7H6N2 — CID 59954773

IUPAC—
SMILES[CH]c1ncnc([CH])c1C
InChIInChI=1S/C7H6N2/c1-5-6(2)8-4-9-7(5)3/h2-4H,1H3
InChIKeyRFKMXVBMIBGKHM-UHFFFAOYSA-N
MW118.14 g/mol
LogP0.90
Rot. Bonds

About CID 59954773

CID 59954773 (PubChem CID 59954773) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol.

Molecular Properties

Compound NameCID 59954773
PubChem CID59954773
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name—
SMILES[CH]c1ncnc([CH])c1C
InChIInChI=1S/C7H6N2/c1-5-6(2)8-4-9-7(5)3/h2-4H,1H3
InChIKeyRFKMXVBMIBGKHM-UHFFFAOYSA-N
XLogP0.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59954773?
The IUPAC name of CID 59954773 (CID 59954773) is not available.
What is the SMILES notation for CID 59954773?
The canonical SMILES for CID 59954773 is [CH]c1ncnc([CH])c1C.
What is the InChIKey of CID 59954773?
The InChIKey is RFKMXVBMIBGKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-5-6(2)8-4-9-7(5)3/h2-4H,1H3.
What are the key properties of CID 59954773?
CID 59954773 has a molecular weight of 118.14 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59954773 is sourced from PubChem (CID 59954773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).