N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine

C17H26N6O — CID 118747049

IUPACN,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine
SMILESCN(C)CCOCC1CN(Cc2ccncc2)Cc2nnn(C)c21
InChIInChI=1S/C17H26N6O/c1-21(2)8-9-24-13-15-11-23(10-14-4-6-18-7-5-14)12-16-17(15)22(3)20-19-16/h4-7,15H,8-13H2,1-3H3
InChIKeyHLHIEIYQUOEJFM-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.89
Rot. Bonds7

About N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine

N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine (PubChem CID 118747049) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine
PubChem CID118747049
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine
SMILESCN(C)CCOCC1CN(Cc2ccncc2)Cc2nnn(C)c21
InChIInChI=1S/C17H26N6O/c1-21(2)8-9-24-13-15-11-23(10-14-4-6-18-7-5-14)12-16-17(15)22(3)20-19-16/h4-7,15H,8-13H2,1-3H3
InChIKeyHLHIEIYQUOEJFM-UHFFFAOYSA-N
XLogP0.89
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[[(2R,5R)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]oxolan-2-yl]methyl]triazol-4-yl]pyridine
CID 42627852
(2S,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97385062
(3aS,7R,7aR)-7-(4-methylpiperazin-1-yl)-2-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97387238
(2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97415953
(3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
CID 97460505
3-(methoxymethyl)-1-propan-2-yl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97519988
2-[[1-(2-Methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 110102386
1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 118739033
1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118739496
7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739518
1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118739575
7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739628

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine (CID 118747049) is N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine is CN(C)CCOCC1CN(Cc2ccncc2)Cc2nnn(C)c21.
What is the InChIKey of N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine?
The InChIKey is HLHIEIYQUOEJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-21(2)8-9-24-13-15-11-23(10-14-4-6-18-7-5-14)12-16-17(15)22(3)20-19-16/h4-7,15H,8-13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine?
N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine has a molecular weight of 330.44 g/mol, XLogP of 0.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine is sourced from PubChem (CID 118747049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).