4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide

C8H12F3N5O — CID 120558788

IUPAC4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide
SMILESCC(N)CCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N5O/c1-4(12)2-3-5(17)13-7-14-6(15-16-7)8(9,10)11/h4H,2-3,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyYXSMLPXCAQZXCS-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.89
Rot. Bonds4

About 4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide

4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide (PubChem CID 120558788) has the molecular formula C8H12F3N5O and a molecular weight of 251.21 g/mol. Its IUPAC name is 4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide
PubChem CID120558788
Molecular FormulaC8H12F3N5O
Molecular Weight251.21 g/mol
Exact Mass251.10
IUPAC Name4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide
SMILESCC(N)CCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N5O/c1-4(12)2-3-5(17)13-7-14-6(15-16-7)8(9,10)11/h4H,2-3,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyYXSMLPXCAQZXCS-UHFFFAOYSA-N
XLogP0.89
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride
CID 120586571
3-amino-3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 119948763
4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride
CID 120559402
4-oxo-4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 36579570
4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 43051639
3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
CID 36580103
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 47074392
2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579720
4-(4-chloro-2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 36579604
4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 36580755
2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 43021015
2-(2,4,5-trichlorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 46548915

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide?
The IUPAC name of 4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide (CID 120558788) is 4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide.
What is the SMILES notation for 4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide?
The canonical SMILES for 4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide is CC(N)CCC(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide?
The InChIKey is YXSMLPXCAQZXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O/c1-4(12)2-3-5(17)13-7-14-6(15-16-7)8(9,10)11/h4H,2-3,12H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide?
4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide has a molecular weight of 251.21 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide is sourced from PubChem (CID 120558788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).