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

C20H23N5O — CID 86772885

IUPAC3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1nnc2n1CC(NCc1cccc(OCc3ccccn3)c1)CC2
InChIInChI=1S/C20H23N5O/c1-15-23-24-20-9-8-17(13-25(15)20)22-12-16-5-4-7-19(11-16)26-14-18-6-2-3-10-21-18/h2-7,10-11,17,22H,8-9,12-14H2,1H3
InChIKeyBXLYUPKFVXYBCV-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.67
Rot. Bonds6

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

3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 86772885) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID86772885
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1nnc2n1CC(NCc1cccc(OCc3ccccn3)c1)CC2
InChIInChI=1S/C20H23N5O/c1-15-23-24-20-9-8-17(13-25(15)20)22-12-16-5-4-7-19(11-16)26-14-18-6-2-3-10-21-18/h2-7,10-11,17,22H,8-9,12-14H2,1H3
InChIKeyBXLYUPKFVXYBCV-UHFFFAOYSA-N
XLogP2.67
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119127379
(1R)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 95282173
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
(3S)-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]azepan-2-one
CID 94531015
1-[(2R)-4-methylmorpholin-2-yl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
CID 95302096
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950
2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 60539644
2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile
CID 119126415
N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 64771424
3-methyl-N'-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111047995
N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 131927940
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 86772885) is 3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Cc1nnc2n1CC(NCc1cccc(OCc3ccccn3)c1)CC2.
What is the InChIKey of 3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is BXLYUPKFVXYBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-23-24-20-9-8-17(13-25(15)20)22-12-16-5-4-7-19(11-16)26-14-18-6-2-3-10-21-18/h2-7,10-11,17,22H,8-9,12-14H2,1H3.
What are the key properties of 3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 349.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 86772885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).