CID 59716374

C16H9N3 — CID 59716374

IUPAC—
SMILES[CH]c1ncnc2ccc(-c3cccc(C#N)c3)cc12
InChIInChI=1S/C16H9N3/c1-11-15-8-14(5-6-16(15)19-10-18-11)13-4-2-3-12(7-13)9-17/h1-8,10H
InChIKeyJZTSSUNDQMSYBF-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.23
Rot. Bonds1

About CID 59716374

CID 59716374 (PubChem CID 59716374) has the molecular formula C16H9N3 and a molecular weight of 243.27 g/mol.

Molecular Properties

Compound NameCID 59716374
PubChem CID59716374
Molecular FormulaC16H9N3
Molecular Weight243.27 g/mol
Exact Mass243.08
IUPAC Name—
SMILES[CH]c1ncnc2ccc(-c3cccc(C#N)c3)cc12
InChIInChI=1S/C16H9N3/c1-11-15-8-14(5-6-16(15)19-10-18-11)13-4-2-3-12(7-13)9-17/h1-8,10H
InChIKeyJZTSSUNDQMSYBF-UHFFFAOYSA-N
XLogP3.23
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-bromoquinazolin-4-yl)benzonitrile
CID 68516089
3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile
CID 3235560
3-(6-chloropyrimidin-4-yl)benzonitrile
CID 19988636
3-[3-[6-(4-oxa-9-azadispiro[2.1.25.33]decan-9-yl)pyrimidin-4-yl]-1H-indazol-5-yl]benzonitrile
CID 144694420
3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
CID 10016570
3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465868
2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985
3-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoxalin-2-yl]phenyl]benzonitrile
CID 146914119
3-[6-(4-benzo[a]acridin-2-ylphenyl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 155242485
3-[6-[3-dibenzofuran-2-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile
CID 171584105
3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile
CID 139203949
3-quinolin-8-ylbenzonitrile
CID 4189045

Frequently Asked Questions

What is the IUPAC name of CID 59716374?
The IUPAC name of CID 59716374 (CID 59716374) is not available.
What is the SMILES notation for CID 59716374?
The canonical SMILES for CID 59716374 is [CH]c1ncnc2ccc(-c3cccc(C#N)c3)cc12.
What is the InChIKey of CID 59716374?
The InChIKey is JZTSSUNDQMSYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3/c1-11-15-8-14(5-6-16(15)19-10-18-11)13-4-2-3-12(7-13)9-17/h1-8,10H.
What are the key properties of CID 59716374?
CID 59716374 has a molecular weight of 243.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59716374 is sourced from PubChem (CID 59716374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).