CID 59472192

C17H12N5O — CID 59472192

IUPAC—
SMILES[NH]c1ncc(-c2cccc(O)c2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H12N5O/c18-16-15(17-21-12-6-1-2-7-13(12)22-17)20-14(9-19-16)10-4-3-5-11(23)8-10/h1-9,18,23H,(H,21,22)
InChIKeyWSMDPUFFYOGSSC-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.31
Rot. Bonds2

About CID 59472192

CID 59472192 (PubChem CID 59472192) has the molecular formula C17H12N5O and a molecular weight of 302.32 g/mol.

Molecular Properties

Compound NameCID 59472192
PubChem CID59472192
Molecular FormulaC17H12N5O
Molecular Weight302.32 g/mol
Exact Mass302.10
IUPAC Name—
SMILES[NH]c1ncc(-c2cccc(O)c2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H12N5O/c18-16-15(17-21-12-6-1-2-7-13(12)22-17)20-14(9-19-16)10-4-3-5-11(23)8-10/h1-9,18,23H,(H,21,22)
InChIKeyWSMDPUFFYOGSSC-UHFFFAOYSA-N
XLogP3.31
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 59472192?
The IUPAC name of CID 59472192 (CID 59472192) is not available.
What is the SMILES notation for CID 59472192?
The canonical SMILES for CID 59472192 is [NH]c1ncc(-c2cccc(O)c2)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of CID 59472192?
The InChIKey is WSMDPUFFYOGSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N5O/c18-16-15(17-21-12-6-1-2-7-13(12)22-17)20-14(9-19-16)10-4-3-5-11(23)8-10/h1-9,18,23H,(H,21,22).
What are the key properties of CID 59472192?
CID 59472192 has a molecular weight of 302.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59472192 is sourced from PubChem (CID 59472192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).