5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine

C20H24N6O — CID 77106161

IUPAC5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCC(C)n1cc(-c2cc(-c3ccc(N4CCOCC4)cc3)cnc2N)nn1
InChIInChI=1S/C20H24N6O/c1-14(2)26-13-19(23-24-26)18-11-16(12-22-20(18)21)15-3-5-17(6-4-15)25-7-9-27-10-8-25/h3-6,11-14H,7-10H2,1-2H3,(H2,21,22)
InChIKeyBANSICLGZKNWNQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.01
Rot. Bonds4

About 5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine

5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (PubChem CID 77106161) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
PubChem CID77106161
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCC(C)n1cc(-c2cc(-c3ccc(N4CCOCC4)cc3)cnc2N)nn1
InChIInChI=1S/C20H24N6O/c1-14(2)26-13-19(23-24-26)18-11-16(12-22-20(18)21)15-3-5-17(6-4-15)25-7-9-27-10-8-25/h3-6,11-14H,7-10H2,1-2H3,(H2,21,22)
InChIKeyBANSICLGZKNWNQ-UHFFFAOYSA-N
XLogP3.01
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-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-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (CID 77106161) is 5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is CC(C)n1cc(-c2cc(-c3ccc(N4CCOCC4)cc3)cnc2N)nn1.
What is the InChIKey of 5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The InChIKey is BANSICLGZKNWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14(2)26-13-19(23-24-26)18-11-16(12-22-20(18)21)15-3-5-17(6-4-15)25-7-9-27-10-8-25/h3-6,11-14H,7-10H2,1-2H3,(H2,21,22).
What are the key properties of 5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine has a molecular weight of 364.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 77106161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).