1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine

C15H19FN4O — CID 107686553

IUPAC1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2nnc3n2CCCC3)c(F)c1
InChIInChI=1S/C15H19FN4O/c1-17-9-11-5-6-13(12(16)8-11)21-10-15-19-18-14-4-2-3-7-20(14)15/h5-6,8,17H,2-4,7,9-10H2,1H3
InChIKeyXYFFNSWFPAPUFJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.05
Rot. Bonds5

About 1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine

1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 107686553) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID107686553
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2nnc3n2CCCC3)c(F)c1
InChIInChI=1S/C15H19FN4O/c1-17-9-11-5-6-13(12(16)8-11)21-10-15-19-18-14-4-2-3-7-20(14)15/h5-6,8,17H,2-4,7,9-10H2,1H3
InChIKeyXYFFNSWFPAPUFJ-UHFFFAOYSA-N
XLogP2.05
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

(E)-2-[[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146511993
(E)-3-fluoro-2-[[4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146511997
(E)-2-[[4-(1-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512011
(E)-3-fluoro-2-[[4-[1-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512046
(E)-2-[[4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512055
(E)-2-[[4-[5-(difluoromethyl)-1-ethyl-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512058
(E)-3-fluoro-2-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512070
(E)-3-fluoro-2-[[4-[2-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512152
(E)-3-fluoro-2-[[4-[5-(1-fluorocyclopropyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512237
(E)-3-fluoro-2-[[4-[5-(1-fluorocyclopropyl)-2-methyl-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512245
(E)-2-[[4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512246
(E)-2-[[4-[2-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512247

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine (CID 107686553) is 1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OCc2nnc3n2CCCC3)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is XYFFNSWFPAPUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-17-9-11-5-6-13(12(16)8-11)21-10-15-19-18-14-4-2-3-7-20(14)15/h5-6,8,17H,2-4,7,9-10H2,1H3.
What are the key properties of 1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 290.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107686553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).