5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine

C24H27N5 — CID 46742339

IUPAC5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3ccccn3)nc2N2CCC(C3CCCCC3)C2)cc1
InChIInChI=1S/C24H27N5/c1-3-9-18(10-4-1)20-14-16-29(17-20)24-22(19-11-5-2-6-12-19)27-28-23(26-24)21-13-7-8-15-25-21/h2,5-8,11-13,15,18,20H,1,3-4,9-10,14,16-17H2
InChIKeyJNMZVPMPLIWXEY-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.01
Rot. Bonds4

About 5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine

5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine (PubChem CID 46742339) has the molecular formula C24H27N5 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
PubChem CID46742339
Molecular FormulaC24H27N5
Molecular Weight385.51 g/mol
Exact Mass385.23
IUPAC Name5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3ccccn3)nc2N2CCC(C3CCCCC3)C2)cc1
InChIInChI=1S/C24H27N5/c1-3-9-18(10-4-1)20-14-16-29(17-20)24-22(19-11-5-2-6-12-19)27-28-23(26-24)21-13-7-8-15-25-21/h2,5-8,11-13,15,18,20H,1,3-4,9-10,14,16-17H2
InChIKeyJNMZVPMPLIWXEY-UHFFFAOYSA-N
XLogP5.01
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine?
The IUPAC name of 5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine (CID 46742339) is 5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine.
What is the SMILES notation for 5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine?
The canonical SMILES for 5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine is c1ccc(-c2nnc(-c3ccccn3)nc2N2CCC(C3CCCCC3)C2)cc1.
What is the InChIKey of 5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine?
The InChIKey is JNMZVPMPLIWXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-3-9-18(10-4-1)20-14-16-29(17-20)24-22(19-11-5-2-6-12-19)27-28-23(26-24)21-13-7-8-15-25-21/h2,5-8,11-13,15,18,20H,1,3-4,9-10,14,16-17H2.
What are the key properties of 5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine?
5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine has a molecular weight of 385.51 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexylpyrrolidin-1-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazine is sourced from PubChem (CID 46742339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).