5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine

C21H26N6O — CID 77106759

IUPAC5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCC(C)n1cc(-c2cc(-c3ccc(CN4CCOCC4)cc3)cnc2N)nn1
InChIInChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23)
InChIKeyCFVWLNQPGCBNKV-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.00
Rot. Bonds5

About 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine

5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (PubChem CID 77106759) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
PubChem CID77106759
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCC(C)n1cc(-c2cc(-c3ccc(CN4CCOCC4)cc3)cnc2N)nn1
InChIInChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23)
InChIKeyCFVWLNQPGCBNKV-UHFFFAOYSA-N
XLogP3.00
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (CID 77106759) is 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is CC(C)n1cc(-c2cc(-c3ccc(CN4CCOCC4)cc3)cnc2N)nn1.
What is the InChIKey of 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The InChIKey is CFVWLNQPGCBNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23).
What are the key properties of 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine has a molecular weight of 378.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 77106759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).