5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine

C20H21FN6O — CID 45213691

IUPAC5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine
SMILESFc1cccc(-c2cnnc(NCC(c3ccccn3)N3CCOCC3)n2)c1
InChIInChI=1S/C20H21FN6O/c21-16-5-3-4-15(12-16)18-13-24-26-20(25-18)23-14-19(17-6-1-2-7-22-17)27-8-10-28-11-9-27/h1-7,12-13,19H,8-11,14H2,(H,23,25,26)
InChIKeyNYUKAHFRPLDMEC-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.56
Rot. Bonds6

About 5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine

5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine (PubChem CID 45213691) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine
PubChem CID45213691
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine
SMILESFc1cccc(-c2cnnc(NCC(c3ccccn3)N3CCOCC3)n2)c1
InChIInChI=1S/C20H21FN6O/c21-16-5-3-4-15(12-16)18-13-24-26-20(25-18)23-14-19(17-6-1-2-7-22-17)27-8-10-28-11-9-27/h1-7,12-13,19H,8-11,14H2,(H,23,25,26)
InChIKeyNYUKAHFRPLDMEC-UHFFFAOYSA-N
XLogP2.56
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine 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-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine (CID 45213691) is 5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine is Fc1cccc(-c2cnnc(NCC(c3ccccn3)N3CCOCC3)n2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine?
The InChIKey is NYUKAHFRPLDMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-16-5-3-4-15(12-16)18-13-24-26-20(25-18)23-14-19(17-6-1-2-7-22-17)27-8-10-28-11-9-27/h1-7,12-13,19H,8-11,14H2,(H,23,25,26).
What are the key properties of 5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine?
5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine has a molecular weight of 380.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 45213691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).