1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

C10H14N4O — CID 64548319

IUPAC1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1ncn[nH]1)c1ccco1
InChIInChI=1S/C10H14N4O/c1-8(9-3-2-6-15-9)11-5-4-10-12-7-13-14-10/h2-3,6-8,11H,4-5H2,1H3,(H,12,13,14)
InChIKeyZLXATGPOJBBFHL-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.29
Rot. Bonds5

About 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (PubChem CID 64548319) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
PubChem CID64548319
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1ncn[nH]1)c1ccco1
InChIInChI=1S/C10H14N4O/c1-8(9-3-2-6-15-9)11-5-4-10-12-7-13-14-10/h2-3,6-8,11H,4-5H2,1H3,(H,12,13,14)
InChIKeyZLXATGPOJBBFHL-UHFFFAOYSA-N
XLogP1.29
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 64548306
1-(5-bromofuran-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 104653041
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butan-2-amine
CID 64547951
1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548139
2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine
CID 103390085
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64547950
N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360723
1-(4-nitrophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548130
(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81400379
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (CID 64548319) is 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is CC(NCCc1ncn[nH]1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The InChIKey is ZLXATGPOJBBFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(9-3-2-6-15-9)11-5-4-10-12-7-13-14-10/h2-3,6-8,11H,4-5H2,1H3,(H,12,13,14).
What are the key properties of 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine has a molecular weight of 206.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 64548319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).