N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine

C15H24N6 — CID 62417286

IUPACN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCCNCc1cn(CCN(C)CCc2ccccn2)nn1
InChIInChI=1S/C15H24N6/c1-3-16-12-15-13-21(19-18-15)11-10-20(2)9-7-14-6-4-5-8-17-14/h4-6,8,13,16H,3,7,9-12H2,1-2H3
InChIKeyUWBNJHMGZUPEFN-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.96
Rot. Bonds9

About N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 62417286) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID62417286
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCCNCc1cn(CCN(C)CCc2ccccn2)nn1
InChIInChI=1S/C15H24N6/c1-3-16-12-15-13-21(19-18-15)11-10-20(2)9-7-14-6-4-5-8-17-14/h4-6,8,13,16H,3,7,9-12H2,1-2H3
InChIKeyUWBNJHMGZUPEFN-UHFFFAOYSA-N
XLogP0.96
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylbutan-1-amine
CID 62423669
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 62436258
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline
CID 62436489
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine
CID 62427263
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine
CID 55074649
2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
CID 114778652
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
CID 62426850
N-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62418035

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine (CID 62417286) is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine is CCNCc1cn(CCN(C)CCc2ccccn2)nn1.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is UWBNJHMGZUPEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-3-16-12-15-13-21(19-18-15)11-10-20(2)9-7-14-6-4-5-8-17-14/h4-6,8,13,16H,3,7,9-12H2,1-2H3.
What are the key properties of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 288.40 g/mol, XLogP of 0.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 62417286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).