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

C11H16N4O — CID 64548306

IUPAC1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1ncn[nH]1)c1ccco1
InChIInChI=1S/C11H16N4O/c1-2-9(10-4-3-7-16-10)12-6-5-11-13-8-14-15-11/h3-4,7-9,12H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyDZZJLTBAAUYIQI-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.68
Rot. Bonds6

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

1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine (PubChem CID 64548306) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
PubChem CID64548306
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1ncn[nH]1)c1ccco1
InChIInChI=1S/C11H16N4O/c1-2-9(10-4-3-7-16-10)12-6-5-11-13-8-14-15-11/h3-4,7-9,12H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyDZZJLTBAAUYIQI-UHFFFAOYSA-N
XLogP1.68
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.68
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]ethanamine
CID 64548319
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 55097343
(1R)-1-(3-chloro-2-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 99715695
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
3-methyl-1-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butan-1-amine
CID 64548527
3,3-dimethyl-1-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butan-1-amine
CID 64545600
N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360723
N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 106169372
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butan-2-amine
CID 64547951
1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80682343
N'-[1-(furan-2-yl)propyl]butane-1,4-diamine
CID 62633443
2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine
CID 103390085

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine (CID 64548306) is 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine is CCC(NCCc1ncn[nH]1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine?
The InChIKey is DZZJLTBAAUYIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-9(10-4-3-7-16-10)12-6-5-11-13-8-14-15-11/h3-4,7-9,12H,2,5-6H2,1H3,(H,13,14,15).
What are the key properties of 1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine?
1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine has a molecular weight of 220.28 g/mol, XLogP of 1.68, 6 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]propan-1-amine is sourced from PubChem (CID 64548306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).