CID 123837529

C20H15N3 — CID 123837529

IUPAC—
SMILES[c-]1c(-c2ccccc2)n(-c2ccccc2)n[n+]1-c1ccccc1
InChIInChI=1S/C20H15N3/c1-4-10-17(11-5-1)20-16-22(18-12-6-2-7-13-18)21-23(20)19-14-8-3-9-15-19/h1-15H
InChIKeyHAPBGBLSRVTMEU-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.62
Rot. Bonds3

About CID 123837529

CID 123837529 (PubChem CID 123837529) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol.

Molecular Properties

Compound NameCID 123837529
PubChem CID123837529
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name—
SMILES[c-]1c(-c2ccccc2)n(-c2ccccc2)n[n+]1-c1ccccc1
InChIInChI=1S/C20H15N3/c1-4-10-17(11-5-1)20-16-22(18-12-6-2-7-13-18)21-23(20)19-14-8-3-9-15-19/h1-15H
InChIKeyHAPBGBLSRVTMEU-UHFFFAOYSA-N
XLogP3.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 51050607
CID 51050607
4-methyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-thiolate
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6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione
CID 90278238
5-chloro-1,3-diphenyltetrazol-1-ium tetrafluoroborate
CID 11013369
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
1,3,5-triphenylpyrazole
CID 626614
5-[(1,3-diphenylpyrazol-5-yl)-difluoromethyl]-1,3-diphenylpyrazole
CID 12640730
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
2,3,5-triphenyltetrazol-2-ium;chloride;hydrate
CID 23288416
5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
CID 736659
1-(3-chlorophenyl)-3-phenylpyrazole
CID 170994248

Frequently Asked Questions

What is the IUPAC name of CID 123837529?
The IUPAC name of CID 123837529 (CID 123837529) is not available.
What is the SMILES notation for CID 123837529?
The canonical SMILES for CID 123837529 is [c-]1c(-c2ccccc2)n(-c2ccccc2)n[n+]1-c1ccccc1.
What is the InChIKey of CID 123837529?
The InChIKey is HAPBGBLSRVTMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-4-10-17(11-5-1)20-16-22(18-12-6-2-7-13-18)21-23(20)19-14-8-3-9-15-19/h1-15H.
What are the key properties of CID 123837529?
CID 123837529 has a molecular weight of 297.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123837529 is sourced from PubChem (CID 123837529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).