N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline

C15H19FN4 — CID 115929104

IUPACN-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline
SMILESCC(CC1CCC1)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C15H19FN4/c1-11(7-12-3-2-4-12)19-13-5-6-15(14(16)8-13)20-10-17-9-18-20/h5-6,8-12,19H,2-4,7H2,1H3
InChIKeyQUEZILFEGXOHNE-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.40
Rot. Bonds5

About N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline

N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline (PubChem CID 115929104) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline
PubChem CID115929104
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline
SMILESCC(CC1CCC1)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C15H19FN4/c1-11(7-12-3-2-4-12)19-13-5-6-15(14(16)8-13)20-10-17-9-18-20/h5-6,8-12,19H,2-4,7H2,1H3
InChIKeyQUEZILFEGXOHNE-UHFFFAOYSA-N
XLogP3.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-pentan-2-yl-4-(1,2,4-triazol-1-yl)aniline
CID 54866918
N-(1,1-difluoropropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline
CID 102869216
3-fluoro-N-(3-methylcyclobutyl)-4-(1,2,4-triazol-1-yl)aniline
CID 104860232
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]-3-pyridinyl]-3-fluoro-4-(1,2,4-triazol-1-yl)benzenesulfonamide
CID 68950427
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731482
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylthiolan-3-amine
CID 102671202
3-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 62726630
3-fluoro-N-octyl-4-(1,2,4-triazol-1-yl)aniline
CID 63451897
3-fluoro-N-[(3-methyloxetan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 107235399
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119731490
3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
CID 119731498
4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560590

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline (CID 115929104) is N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline is CC(CC1CCC1)Nc1ccc(-n2cncn2)c(F)c1.
What is the InChIKey of N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline?
The InChIKey is QUEZILFEGXOHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-11(7-12-3-2-4-12)19-13-5-6-15(14(16)8-13)20-10-17-9-18-20/h5-6,8-12,19H,2-4,7H2,1H3.
What are the key properties of N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline?
N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline has a molecular weight of 274.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 115929104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).