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

C17H26N6O — CID 118747047

IUPACN,N-dimethyl-2-[[1-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine
SMILESCN(C)CCOCC1CN(Cc2ccccn2)Cc2nnn(C)c21
InChIInChI=1S/C17H26N6O/c1-21(2)8-9-24-13-14-10-23(11-15-6-4-5-7-18-15)12-16-17(14)22(3)20-19-16/h4-7,14H,8-13H2,1-3H3
InChIKeyFVHBCSYVEAMFHK-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.89
Rot. Bonds7

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

N,N-dimethyl-2-[[1-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine (PubChem CID 118747047) 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-2-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-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine
PubChem CID118747047
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN,N-dimethyl-2-[[1-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine
SMILESCN(C)CCOCC1CN(Cc2ccccn2)Cc2nnn(C)c21
InChIInChI=1S/C17H26N6O/c1-21(2)8-9-24-13-14-10-23(11-15-6-4-5-7-18-15)12-16-17(14)22(3)20-19-16/h4-7,14H,8-13H2,1-3H3
InChIKeyFVHBCSYVEAMFHK-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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-methyl-5-(pyridin-2-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-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine (CID 118747047) is N,N-dimethyl-2-[[1-methyl-5-(pyridin-2-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-2-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-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine is CN(C)CCOCC1CN(Cc2ccccn2)Cc2nnn(C)c21.
What is the InChIKey of N,N-dimethyl-2-[[1-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine?
The InChIKey is FVHBCSYVEAMFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-21(2)8-9-24-13-14-10-23(11-15-6-4-5-7-18-15)12-16-17(14)22(3)20-19-16/h4-7,14H,8-13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[1-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine?
N,N-dimethyl-2-[[1-methyl-5-(pyridin-2-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-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine is sourced from PubChem (CID 118747047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).