3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine

C17H20F3N7O — CID 67151921

IUPAC3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine
SMILESNC1=CN(C(F)(F)F)Cc2c1nnn2CC1CN(Cc2ccccn2)CCO1
InChIInChI=1S/C17H20F3N7O/c18-17(19,20)26-10-14(21)16-15(11-26)27(24-23-16)9-13-8-25(5-6-28-13)7-12-3-1-2-4-22-12/h1-4,10,13H,5-9,11,21H2
InChIKeyHJUSOPCQKQZCQL-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.17
Rot. Bonds4

About 3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine

3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine (PubChem CID 67151921) has the molecular formula C17H20F3N7O and a molecular weight of 395.39 g/mol. Its IUPAC name is 3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine.

Molecular Properties

Compound Name3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine
PubChem CID67151921
Molecular FormulaC17H20F3N7O
Molecular Weight395.39 g/mol
Exact Mass395.17
IUPAC Name3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine
SMILESNC1=CN(C(F)(F)F)Cc2c1nnn2CC1CN(Cc2ccccn2)CCO1
InChIInChI=1S/C17H20F3N7O/c18-17(19,20)26-10-14(21)16-15(11-26)27(24-23-16)9-13-8-25(5-6-28-13)7-12-3-1-2-4-22-12/h1-4,10,13H,5-9,11,21H2
InChIKeyHJUSOPCQKQZCQL-UHFFFAOYSA-N
XLogP1.17
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine?
The IUPAC name of 3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine (CID 67151921) is 3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine.
What is the SMILES notation for 3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine?
The canonical SMILES for 3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine is NC1=CN(C(F)(F)F)Cc2c1nnn2CC1CN(Cc2ccccn2)CCO1.
What is the InChIKey of 3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine?
The InChIKey is HJUSOPCQKQZCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N7O/c18-17(19,20)26-10-14(21)16-15(11-26)27(24-23-16)9-13-8-25(5-6-28-13)7-12-3-1-2-4-22-12/h1-4,10,13H,5-9,11,21H2.
What are the key properties of 3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine?
3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine has a molecular weight of 395.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)-4H-triazolo[4,5-c]pyridin-7-amine is sourced from PubChem (CID 67151921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).