CID 51050607

C15H13N3 — CID 51050607

IUPAC—
SMILESCn1n[n+](-c2ccccc2)[c-]c1-c1ccccc1
InChIInChI=1S/C15H13N3/c1-17-15(13-8-4-2-5-9-13)12-18(16-17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyHWQXGUWLNGFJKV-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.16
Rot. Bonds2

About CID 51050607

CID 51050607 (PubChem CID 51050607) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol.

Molecular Properties

Compound NameCID 51050607
PubChem CID51050607
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name—
SMILESCn1n[n+](-c2ccccc2)[c-]c1-c1ccccc1
InChIInChI=1S/C15H13N3/c1-17-15(13-8-4-2-5-9-13)12-18(16-17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyHWQXGUWLNGFJKV-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of CID 51050607?
The IUPAC name of CID 51050607 (CID 51050607) is not available.
What is the SMILES notation for CID 51050607?
The canonical SMILES for CID 51050607 is Cn1n[n+](-c2ccccc2)[c-]c1-c1ccccc1.
What is the InChIKey of CID 51050607?
The InChIKey is HWQXGUWLNGFJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-17-15(13-8-4-2-5-9-13)12-18(16-17)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of CID 51050607?
CID 51050607 has a molecular weight of 235.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 51050607 is sourced from PubChem (CID 51050607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).