N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C13H19N5 — CID 114213447

IUPACN-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1cnnn1CC
InChIInChI=1S/C13H19N5/c1-4-14-13(11-7-6-10(3)15-8-11)12-9-16-17-18(12)5-2/h6-9,13-14H,4-5H2,1-3H3
InChIKeyXXODDIKJXDZVBC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.70
Rot. Bonds5

About N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 114213447) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID114213447
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1cnnn1CC
InChIInChI=1S/C13H19N5/c1-4-14-13(11-7-6-10(3)15-8-11)12-9-16-17-18(12)5-2/h6-9,13-14H,4-5H2,1-3H3
InChIKeyXXODDIKJXDZVBC-UHFFFAOYSA-N
XLogP1.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038808
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687035
N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine
CID 114213546
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382
N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598
N-[(2,4-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854963
N-[(4,5-dimethylthiophen-2-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine
CID 114213501
N-[(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038920
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 143971638
N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182281

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 114213447) is N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)c1cnnn1CC.
What is the InChIKey of N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is XXODDIKJXDZVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-14-13(11-7-6-10(3)15-8-11)12-9-16-17-18(12)5-2/h6-9,13-14H,4-5H2,1-3H3.
What are the key properties of N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114213447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).