2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide

C10H16F3N5O — CID 61107527

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H16F3N5O/c1-2-3-4-17(6-10(11,12)13)8(19)5-18-7-15-9(14)16-18/h7H,2-6H2,1H3,(H2,14,16)
InChIKeyLDBLBOUNPMGTCW-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.05
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61107527) has the molecular formula C10H16F3N5O and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61107527
Molecular FormulaC10H16F3N5O
Molecular Weight279.27 g/mol
Exact Mass279.13
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H16F3N5O/c1-2-3-4-17(6-10(11,12)13)8(19)5-18-7-15-9(14)16-18/h7H,2-6H2,1H3,(H2,14,16)
InChIKeyLDBLBOUNPMGTCW-UHFFFAOYSA-N
XLogP1.05
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopropyl-2-{[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]amino}acetamide
CID 56714239
4,4,4-trifluoro-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]butanamide
CID 96559340
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43603376
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 43603380
2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 53504985
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55006783
2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55006974
2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 55133784
N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 56789296
2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60718244
2-(3-amino-1H-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 61015785
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61016208

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide (CID 61107527) is 2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LDBLBOUNPMGTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O/c1-2-3-4-17(6-10(11,12)13)8(19)5-18-7-15-9(14)16-18/h7H,2-6H2,1H3,(H2,14,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.27 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61107527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).