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

C21H26N6O — CID 141460492

IUPAC5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1N1CCOCC1
InChIInChI=1S/C21H26N6O/c1-14(2)27-13-19(24-25-27)18-11-17(12-23-21(18)22)16-4-5-20(15(3)10-16)26-6-8-28-9-7-26/h4-5,10-14H,6-9H2,1-3H3,(H2,22,23)
InChIKeyTZAIXRZFDSBBAN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.32
Rot. Bonds4

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

5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (PubChem CID 141460492) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
PubChem CID141460492
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1N1CCOCC1
InChIInChI=1S/C21H26N6O/c1-14(2)27-13-19(24-25-27)18-11-17(12-23-21(18)22)16-4-5-20(15(3)10-16)26-6-8-28-9-7-26/h4-5,10-14H,6-9H2,1-3H3,(H2,22,23)
InChIKeyTZAIXRZFDSBBAN-UHFFFAOYSA-N
XLogP3.32
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (CID 141460492) is 5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is Cc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1N1CCOCC1.
What is the InChIKey of 5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The InChIKey is TZAIXRZFDSBBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14(2)27-13-19(24-25-27)18-11-17(12-23-21(18)22)16-4-5-20(15(3)10-16)26-6-8-28-9-7-26/h4-5,10-14H,6-9H2,1-3H3,(H2,22,23).
What are the key properties of 5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine has a molecular weight of 378.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 141460492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).