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

C6H8F3N5O — CID 119264002

IUPAC2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCC(N)C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N5O/c1-2(10)3(15)11-5-12-4(13-14-5)6(7,8)9/h2H,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyCYYJXSRPPOAQRL-UHFFFAOYSA-N
MW223.16 g/mol
LogP0.11
Rot. Bonds2

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

2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 119264002) has the molecular formula C6H8F3N5O and a molecular weight of 223.16 g/mol. Its IUPAC name is 2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID119264002
Molecular FormulaC6H8F3N5O
Molecular Weight223.16 g/mol
Exact Mass223.07
IUPAC Name2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCC(N)C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N5O/c1-2(10)3(15)11-5-12-4(13-14-5)6(7,8)9/h2H,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyCYYJXSRPPOAQRL-UHFFFAOYSA-N
XLogP0.11
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]butanamide
CID 99959987
(2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 124507543
2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 167264753
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 2426810
2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide
CID 46548794
2-acetamido-3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 60402201
3-amino-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-5-carboxamide
CID 63227377
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide
CID 75267745
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4,4-trifluorobutanamide
CID 75517646
4,4,4-Trifluoro-N-[1-(5-methyl-1H-1,2,4-triazol-3-YL)ethyl]butanamide
CID 77097805
3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78928289
4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 79035836

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (CID 119264002) is 2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is CC(N)C(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is CYYJXSRPPOAQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5O/c1-2(10)3(15)11-5-12-4(13-14-5)6(7,8)9/h2H,10H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 223.16 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 119264002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).