N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine

C13H23N5 — CID 114413134

IUPACN-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CC=C(C)CC2)nn1
InChIInChI=1S/C13H23N5/c1-3-14-10-13-11-18(16-15-13)9-8-17-6-4-12(2)5-7-17/h4,11,14H,3,5-10H2,1-2H3
InChIKeyXIBPAZHGDJAVQP-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.04
Rot. Bonds6

About N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine

N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine (PubChem CID 114413134) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
PubChem CID114413134
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CC=C(C)CC2)nn1
InChIInChI=1S/C13H23N5/c1-3-14-10-13-11-18(16-15-13)9-8-17-6-4-12(2)5-7-17/h4,11,14H,3,5-10H2,1-2H3
InChIKeyXIBPAZHGDJAVQP-UHFFFAOYSA-N
XLogP1.04
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine
CID 114410888
N-[[1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63163164
N-[[1-[2-(4,4-dimethylazepan-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 65286425
N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63621508
N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63620813
N-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 114413045
N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62420823
N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63024466
N-[[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 114413535
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 114412750

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine (CID 114413134) is N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCN2CC=C(C)CC2)nn1.
What is the InChIKey of N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is XIBPAZHGDJAVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-14-10-13-11-18(16-15-13)9-8-17-6-4-12(2)5-7-17/h4,11,14H,3,5-10H2,1-2H3.
What are the key properties of N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114413134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).