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

C16H18N4O — CID 63084928

IUPACN-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCC(Cc1ccco1)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C16H18N4O/c1-12(10-15-4-3-9-21-15)18-14-7-5-13(6-8-14)16-19-17-11-20(16)2/h3-9,11-12,18H,10H2,1-2H3
InChIKeyXIHCITKRHHBOMJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.12
Rot. Bonds5

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

N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 63084928) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID63084928
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCC(Cc1ccco1)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C16H18N4O/c1-12(10-15-4-3-9-21-15)18-14-7-5-13(6-8-14)16-19-17-11-20(16)2/h3-9,11-12,18H,10H2,1-2H3
InChIKeyXIHCITKRHHBOMJ-UHFFFAOYSA-N
XLogP3.12
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline
CID 63098725
N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline
CID 63085305
N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982537
4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43686655
N-[1-(1-methylcyclopropyl)ethyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686643
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
N-[1-(furan-2-yl)propan-2-yl]-5-methylpyridin-3-amine
CID 107584649
N-[1-(furan-2-yl)propan-2-yl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385464
N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline
CID 63100284
1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 72872687

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 63084928) is N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline is CC(Cc1ccco1)Nc1ccc(-c2nncn2C)cc1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is XIHCITKRHHBOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(10-15-4-3-9-21-15)18-14-7-5-13(6-8-14)16-19-17-11-20(16)2/h3-9,11-12,18H,10H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 282.35 g/mol, XLogP of 3.12, 5 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)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 63084928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).