3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride

C12H15ClFN5O — CID 119731498

IUPAC3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc(-n2cncn2)c(F)c1.Cl
InChIInChI=1S/C12H14FN5O.ClH/c1-8(14)4-12(19)17-9-2-3-11(10(13)5-9)18-7-15-6-16-18;/h2-3,5-8H,4,14H2,1H3,(H,17,19);1H
InChIKeyLZIKJDJXKZEPML-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.50
Rot. Bonds4

About 3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride

3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride (PubChem CID 119731498) has the molecular formula C12H15ClFN5O and a molecular weight of 299.74 g/mol. Its IUPAC name is 3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
PubChem CID119731498
Molecular FormulaC12H15ClFN5O
Molecular Weight299.74 g/mol
Exact Mass299.09
IUPAC Name3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc(-n2cncn2)c(F)c1.Cl
InChIInChI=1S/C12H14FN5O.ClH/c1-8(14)4-12(19)17-9-2-3-11(10(13)5-9)18-7-15-6-16-18;/h2-3,5-8H,4,14H2,1H3,(H,17,19);1H
InChIKeyLZIKJDJXKZEPML-UHFFFAOYSA-N
XLogP1.50
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560590
(2S)-2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119731503
2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methylbutanamide
CID 60945442
2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 60809987
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119731490
3-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 62726630
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731482
2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 60944539
1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 94962183
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199960
N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55813284
2-bromo-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 114328059

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride (CID 119731498) is 3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride is CC(N)CC(=O)Nc1ccc(-n2cncn2)c(F)c1.Cl.
What is the InChIKey of 3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride?
The InChIKey is LZIKJDJXKZEPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O.ClH/c1-8(14)4-12(19)17-9-2-3-11(10(13)5-9)18-7-15-6-16-18;/h2-3,5-8H,4,14H2,1H3,(H,17,19);1H.
What are the key properties of 3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride?
3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride has a molecular weight of 299.74 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119731498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).