N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline

C14H14N4O — CID 43692009

IUPACN-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline
SMILESCC(Nc1cccc(-n2cnnc2)c1)c1ccco1
InChIInChI=1S/C14H14N4O/c1-11(14-6-3-7-19-14)17-12-4-2-5-13(8-12)18-9-15-16-10-18/h2-11,17H,1H3
InChIKeyOYFABKXSOJKDIA-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline

N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline (PubChem CID 43692009) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline
PubChem CID43692009
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline
SMILESCC(Nc1cccc(-n2cnnc2)c1)c1ccco1
InChIInChI=1S/C14H14N4O/c1-11(14-6-3-7-19-14)17-12-4-2-5-13(8-12)18-9-15-16-10-18/h2-11,17H,1H3
InChIKeyOYFABKXSOJKDIA-UHFFFAOYSA-N
XLogP3.03
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 54863773
N-(3-methylbutan-2-yl)-3-(1,2,4-triazol-4-yl)aniline
CID 43691997
N-[1-(furan-2-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734008
N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692000
N-[1-(4-fluorophenyl)ethyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43692006
3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 43535637
N-(1,1-difluoropropan-2-yl)-3-(1,2,4-triazol-4-yl)aniline
CID 102868485
N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline
CID 43191048
N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 43196365
3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
CID 43688829
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide
CID 43725755
N-(3-methylbutyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43691963

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline (CID 43692009) is N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline is CC(Nc1cccc(-n2cnnc2)c1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline?
The InChIKey is OYFABKXSOJKDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-11(14-6-3-7-19-14)17-12-4-2-5-13(8-12)18-9-15-16-10-18/h2-11,17H,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline?
N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline has a molecular weight of 254.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline is sourced from PubChem (CID 43692009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).