1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine

C10H14N4O — CID 115682172

IUPAC1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnnn1C)c1ccco1
InChIInChI=1S/C10H14N4O/c1-8(10-4-3-5-15-10)11-6-9-7-12-13-14(9)2/h3-5,7-8,11H,6H2,1-2H3
InChIKeyMDRJGLMKKIGILP-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.26
Rot. Bonds4

About 1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine

1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 115682172) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID115682172
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnnn1C)c1ccco1
InChIInChI=1S/C10H14N4O/c1-8(10-4-3-5-15-10)11-6-9-7-12-13-14(9)2/h3-5,7-8,11H,6H2,1-2H3
InChIKeyMDRJGLMKKIGILP-UHFFFAOYSA-N
XLogP1.26
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81403202
(1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81403604
(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 103739296
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79579138
1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682134
1-(furan-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758862
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81402958
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682035
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867029
(1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81403640
1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682383
1-(5-chlorothiophen-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682250

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine (CID 115682172) is 1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine is CC(NCc1cnnn1C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is MDRJGLMKKIGILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(10-4-3-5-15-10)11-6-9-7-12-13-14(9)2/h3-5,7-8,11H,6H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 206.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115682172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).