[5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol

C14H14N4O2 — CID 64580527

IUPAC[5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccccc2-n2cncn2)o1
InChIInChI=1S/C14H14N4O2/c19-8-12-6-5-11(20-12)7-16-13-3-1-2-4-14(13)18-10-15-9-17-18/h1-6,9-10,16,19H,7-8H2
InChIKeyYXIBTURTENRRCA-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.96
Rot. Bonds5

About [5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol

[5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol (PubChem CID 64580527) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is [5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol
PubChem CID64580527
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name[5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccccc2-n2cncn2)o1
InChIInChI=1S/C14H14N4O2/c19-8-12-6-5-11(20-12)7-16-13-3-1-2-4-14(13)18-10-15-9-17-18/h1-6,9-10,16,19H,7-8H2
InChIKeyYXIBTURTENRRCA-UHFFFAOYSA-N
XLogP1.96
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-nitrofuran-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43784440
N-[(4,5-dibromofuran-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62083593
[5-[(2-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
CID 64580535
3-[[2-(1,2,4-triazol-1-yl)anilino]methyl]benzene-1,2-diol
CID 61318676
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
2-methyl-6-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 115951256
2-chloro-6-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 115951257
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 66398320
N-[(3,4-dimethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43784452
6-methyl-2-[[2-(1,2,4-triazol-1-yl)anilino]methyl]pyridin-3-ol
CID 79156738
2-bromo-4-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 63047079

Frequently Asked Questions

What is the IUPAC name of [5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol (CID 64580527) is [5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol is OCc1ccc(CNc2ccccc2-n2cncn2)o1.
What is the InChIKey of [5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol?
The InChIKey is YXIBTURTENRRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-8-12-6-5-11(20-12)7-16-13-3-1-2-4-14(13)18-10-15-9-17-18/h1-6,9-10,16,19H,7-8H2.
What are the key properties of [5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol?
[5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol has a molecular weight of 270.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64580527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).