CID 134873625

C7H7N3O2 — CID 134873625

IUPAC—
SMILESCOC(=O)[C]/C=N/c1ccn[nH]1
InChIInChI=1S/C7H7N3O2/c1-12-7(11)3-4-8-6-2-5-9-10-6/h2,4-5H,1H3,(H,9,10)/b8-4+
InChIKeyDWWOFTIABMVKKA-XBXARRHUSA-N
MW165.15 g/mol
LogP0.37
Rot. Bonds3

About CID 134873625

CID 134873625 (PubChem CID 134873625) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol.

Molecular Properties

Compound NameCID 134873625
PubChem CID134873625
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name—
SMILESCOC(=O)[C]/C=N/c1ccn[nH]1
InChIInChI=1S/C7H7N3O2/c1-12-7(11)3-4-8-6-2-5-9-10-6/h2,4-5H,1H3,(H,9,10)/b8-4+
InChIKeyDWWOFTIABMVKKA-XBXARRHUSA-N
XLogP0.37
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134873625?
The IUPAC name of CID 134873625 (CID 134873625) is not available.
What is the SMILES notation for CID 134873625?
The canonical SMILES for CID 134873625 is COC(=O)[C]/C=N/c1ccn[nH]1.
What is the InChIKey of CID 134873625?
The InChIKey is DWWOFTIABMVKKA-XBXARRHUSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-12-7(11)3-4-8-6-2-5-9-10-6/h2,4-5H,1H3,(H,9,10)/b8-4+.
What are the key properties of CID 134873625?
CID 134873625 has a molecular weight of 165.15 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134873625 is sourced from PubChem (CID 134873625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).