5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine

C19H18N4 — CID 6409931

IUPAC5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine
SMILESc1ccc(-c2nnc(N3CCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H18N4/c1-3-9-15(10-4-1)17-18(16-11-5-2-6-12-16)21-22-19(20-17)23-13-7-8-14-23/h1-6,9-12H,7-8,13-14H2
InChIKeyLEDUPPZTDFQNQU-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.81
Rot. Bonds3

About 5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine

5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine (PubChem CID 6409931) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine
PubChem CID6409931
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine
SMILESc1ccc(-c2nnc(N3CCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H18N4/c1-3-9-15(10-4-1)17-18(16-11-5-2-6-12-16)21-22-19(20-17)23-13-7-8-14-23/h1-6,9-12H,7-8,13-14H2
InChIKeyLEDUPPZTDFQNQU-UHFFFAOYSA-N
XLogP3.81
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine?
The IUPAC name of 5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine (CID 6409931) is 5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine.
What is the SMILES notation for 5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine?
The canonical SMILES for 5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine is c1ccc(-c2nnc(N3CCCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine?
The InChIKey is LEDUPPZTDFQNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-3-9-15(10-4-1)17-18(16-11-5-2-6-12-16)21-22-19(20-17)23-13-7-8-14-23/h1-6,9-12H,7-8,13-14H2.
What are the key properties of 5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine?
5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine has a molecular weight of 302.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine is sourced from PubChem (CID 6409931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).