2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium

C19H15N5 — CID 10881542

IUPAC2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium
SMILESCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1nnn[n-]1
InChIInChI=1S/C19H15N5/c1-14-12-17(15-8-4-2-5-9-15)13-18(16-10-6-3-7-11-16)24(14)19-20-22-23-21-19/h2-13H,1H3
InChIKeyMDAIHSDYUYYLRC-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.75
Rot. Bonds3

About 2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium

2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium (PubChem CID 10881542) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium.

Molecular Properties

Compound Name2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium
PubChem CID10881542
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium
SMILESCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1nnn[n-]1
InChIInChI=1S/C19H15N5/c1-14-12-17(15-8-4-2-5-9-15)13-18(16-10-6-3-7-11-16)24(14)19-20-22-23-21-19/h2-13H,1H3
InChIKeyMDAIHSDYUYYLRC-UHFFFAOYSA-N
XLogP2.75
TPSA56.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium?
The IUPAC name of 2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium (CID 10881542) is 2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium.
What is the SMILES notation for 2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium?
The canonical SMILES for 2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium is Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1nnn[n-]1.
What is the InChIKey of 2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium?
The InChIKey is MDAIHSDYUYYLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-14-12-17(15-8-4-2-5-9-15)13-18(16-10-6-3-7-11-16)24(14)19-20-22-23-21-19/h2-13H,1H3.
What are the key properties of 2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium?
2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium has a molecular weight of 313.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-diphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium is sourced from PubChem (CID 10881542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).