CID 58125066

C7H7N2O — CID 58125066

IUPAC—
SMILESO=c1ccnc2n1[CH]CC2
InChIInChI=1S/C7H7N2O/c10-7-3-4-8-6-2-1-5-9(6)7/h3-5H,1-2H2
InChIKeyHTPJLAREPJFGIG-UHFFFAOYSA-N
MW135.15 g/mol
LogP0.20
Rot. Bonds

About CID 58125066

CID 58125066 (PubChem CID 58125066) has the molecular formula C7H7N2O and a molecular weight of 135.15 g/mol.

Molecular Properties

Compound NameCID 58125066
PubChem CID58125066
Molecular FormulaC7H7N2O
Molecular Weight135.15 g/mol
Exact Mass135.06
IUPAC Name—
SMILESO=c1ccnc2n1[CH]CC2
InChIInChI=1S/C7H7N2O/c10-7-3-4-8-6-2-1-5-9(6)7/h3-5H,1-2H2
InChIKeyHTPJLAREPJFGIG-UHFFFAOYSA-N
XLogP0.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58125066?
The IUPAC name of CID 58125066 (CID 58125066) is not available.
What is the SMILES notation for CID 58125066?
The canonical SMILES for CID 58125066 is O=c1ccnc2n1[CH]CC2.
What is the InChIKey of CID 58125066?
The InChIKey is HTPJLAREPJFGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O/c10-7-3-4-8-6-2-1-5-9(6)7/h3-5H,1-2H2.
What are the key properties of CID 58125066?
CID 58125066 has a molecular weight of 135.15 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58125066 is sourced from PubChem (CID 58125066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).