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

C21H26N6O — CID 77106559

IUPAC5-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCC(C)n1cc(-c2cc(-c3cccc(CN4CCOCC4)c3)cnc2N)nn1
InChIInChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-4-16(10-17)13-26-6-8-28-9-7-26/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H2,22,23)
InChIKeyQFCRWQPZCIFRGJ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.00
Rot. Bonds5

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

5-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (PubChem CID 77106559) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
PubChem CID77106559
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name5-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCC(C)n1cc(-c2cc(-c3cccc(CN4CCOCC4)c3)cnc2N)nn1
InChIInChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-4-16(10-17)13-26-6-8-28-9-7-26/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H2,22,23)
InChIKeyQFCRWQPZCIFRGJ-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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Related Compounds

5-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
CID 77106370
5-(3-methyl-4-morpholin-4-ylphenyl)-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
CID 141460492
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine
CID 77106564
(2R)-2-[4-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]propanamide
CID 126426099
5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 66637304
4-[3-(morpholin-4-ylmethyl)phenyl]pyridin-3-amine
CID 72852250
2-[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]morpholine-4-carbaldehyde
CID 130194125
5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one
CID 56857435
6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
CID 72877134
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 126675392

Frequently Asked Questions

What is the IUPAC name of 5-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (CID 77106559) is 5-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is CC(C)n1cc(-c2cc(-c3cccc(CN4CCOCC4)c3)cnc2N)nn1.
What is the InChIKey of 5-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The InChIKey is QFCRWQPZCIFRGJ-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)17-5-3-4-16(10-17)13-26-6-8-28-9-7-26/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H2,22,23).
What are the key properties of 5-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
5-[3-(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-[3-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 77106559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).