CID 177471322

C14H10N4O2 — CID 177471322

IUPAC—
SMILESO=C(O)c1cccc(N2[C]N(c3ccccn3)C=C2)n1
InChIInChI=1S/C14H10N4O2/c19-14(20)11-4-3-6-13(16-11)18-9-8-17(10-18)12-5-1-2-7-15-12/h1-9H,(H,19,20)
InChIKeyKDSYVFOXSLIHLS-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.97
Rot. Bonds3

About CID 177471322

CID 177471322 (PubChem CID 177471322) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol.

Molecular Properties

Compound NameCID 177471322
PubChem CID177471322
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name—
SMILESO=C(O)c1cccc(N2[C]N(c3ccccn3)C=C2)n1
InChIInChI=1S/C14H10N4O2/c19-14(20)11-4-3-6-13(16-11)18-9-8-17(10-18)12-5-1-2-7-15-12/h1-9H,(H,19,20)
InChIKeyKDSYVFOXSLIHLS-UHFFFAOYSA-N
XLogP1.97
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 177471322?
The IUPAC name of CID 177471322 (CID 177471322) is not available.
What is the SMILES notation for CID 177471322?
The canonical SMILES for CID 177471322 is O=C(O)c1cccc(N2[C]N(c3ccccn3)C=C2)n1.
What is the InChIKey of CID 177471322?
The InChIKey is KDSYVFOXSLIHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-14(20)11-4-3-6-13(16-11)18-9-8-17(10-18)12-5-1-2-7-15-12/h1-9H,(H,19,20).
What are the key properties of CID 177471322?
CID 177471322 has a molecular weight of 266.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177471322 is sourced from PubChem (CID 177471322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).