N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline

C15H16N4O — CID 62345471

IUPACN-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
SMILESCCc1ccc(CNc2ccc(-n3cncn3)cc2)o1
InChIInChI=1S/C15H16N4O/c1-2-14-7-8-15(20-14)9-17-12-3-5-13(6-4-12)19-11-16-10-18-19/h3-8,10-11,17H,2,9H2,1H3
InChIKeyQQBAKBYYHYSFQE-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.03
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline

N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline (PubChem CID 62345471) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
PubChem CID62345471
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
SMILESCCc1ccc(CNc2ccc(-n3cncn3)cc2)o1
InChIInChI=1S/C15H16N4O/c1-2-14-7-8-15(20-14)9-17-12-3-5-13(6-4-12)19-11-16-10-18-19/h3-8,10-11,17H,2,9H2,1H3
InChIKeyQQBAKBYYHYSFQE-UHFFFAOYSA-N
XLogP3.03
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115743586
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 62347242
N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide
CID 71998010
N-(3-methylbutyl)-4-(1,2,4-triazol-1-yl)aniline
CID 54862631
N-pentan-3-yl-4-(1,2,4-triazol-1-yl)aniline
CID 54862710
N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline
CID 62762707
N-[(3,4-dichlorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 60928159
2,2-dimethyl-3-[4-(1,2,4-triazol-1-yl)anilino]propan-1-ol
CID 81411336
3-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 60933579
N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 167965681
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline (CID 62345471) is N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline is CCc1ccc(CNc2ccc(-n3cncn3)cc2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline?
The InChIKey is QQBAKBYYHYSFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-14-7-8-15(20-14)9-17-12-3-5-13(6-4-12)19-11-16-10-18-19/h3-8,10-11,17H,2,9H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline?
N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline has a molecular weight of 268.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 62345471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).