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

C13H17ClFN5O — CID 120560590

IUPAC4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1ccc(-n2cncn2)c(F)c1.Cl
InChIInChI=1S/C13H16FN5O.ClH/c1-9(15)2-5-13(20)18-10-3-4-12(11(14)6-10)19-8-16-7-17-19;/h3-4,6-9H,2,5,15H2,1H3,(H,18,20);1H
InChIKeyOUVXXWHTRRWFRM-UHFFFAOYSA-N
MW313.76 g/mol
LogP1.89
Rot. Bonds5

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

4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride (PubChem CID 120560590) has the molecular formula C13H17ClFN5O and a molecular weight of 313.76 g/mol. Its IUPAC name is 4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
PubChem CID120560590
Molecular FormulaC13H17ClFN5O
Molecular Weight313.76 g/mol
Exact Mass313.11
IUPAC Name4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1ccc(-n2cncn2)c(F)c1.Cl
InChIInChI=1S/C13H16FN5O.ClH/c1-9(15)2-5-13(20)18-10-3-4-12(11(14)6-10)19-8-16-7-17-19;/h3-4,6-9H,2,5,15H2,1H3,(H,18,20);1H
InChIKeyOUVXXWHTRRWFRM-UHFFFAOYSA-N
XLogP1.89
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
CID 119731498
(2S)-2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119731503
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199960
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
2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 60944539
3-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 62726630
1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 94962183
2-bromo-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 114328059
N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55813284
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride (CID 120560590) is 4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride is CC(N)CCC(=O)Nc1ccc(-n2cncn2)c(F)c1.Cl.
What is the InChIKey of 4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride?
The InChIKey is OUVXXWHTRRWFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O.ClH/c1-9(15)2-5-13(20)18-10-3-4-12(11(14)6-10)19-8-16-7-17-19;/h3-4,6-9H,2,5,15H2,1H3,(H,18,20);1H.
What are the key properties of 4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride?
4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride has a molecular weight of 313.76 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120560590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).