CID 135043437

C6H7N2O — CID 135043437

IUPAC—
SMILESNC(=O)C1C=CC=C[N]1
InChIInChI=1S/C6H7N2O/c7-6(9)5-3-1-2-4-8-5/h1-5H,(H2,7,9)
InChIKeyWWHHODIUQJEFLC-UHFFFAOYSA-N
MW123.13 g/mol
LogP-0.47
Rot. Bonds1

About CID 135043437

CID 135043437 (PubChem CID 135043437) has the molecular formula C6H7N2O and a molecular weight of 123.13 g/mol.

Molecular Properties

Compound NameCID 135043437
PubChem CID135043437
Molecular FormulaC6H7N2O
Molecular Weight123.13 g/mol
Exact Mass123.06
IUPAC Name—
SMILESNC(=O)C1C=CC=C[N]1
InChIInChI=1S/C6H7N2O/c7-6(9)5-3-1-2-4-8-5/h1-5H,(H2,7,9)
InChIKeyWWHHODIUQJEFLC-UHFFFAOYSA-N
XLogP-0.47
TPSA57.19 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 135043437?
The IUPAC name of CID 135043437 (CID 135043437) is not available.
What is the SMILES notation for CID 135043437?
The canonical SMILES for CID 135043437 is NC(=O)C1C=CC=C[N]1.
What is the InChIKey of CID 135043437?
The InChIKey is WWHHODIUQJEFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2O/c7-6(9)5-3-1-2-4-8-5/h1-5H,(H2,7,9).
What are the key properties of CID 135043437?
CID 135043437 has a molecular weight of 123.13 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135043437 is sourced from PubChem (CID 135043437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).