2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

C9H14F3N5O — CID 63332288

IUPAC2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1cnnc1CCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H14F3N5O/c1-17-6-15-16-7(17)2-3-13-4-8(18)14-5-9(10,11)12/h6,13H,2-5H2,1H3,(H,14,18)
InChIKeyNNAAUIQNXNMSRM-UHFFFAOYSA-N
MW265.24 g/mol
LogP-0.37
Rot. Bonds6

About 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63332288) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63332288
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1cnnc1CCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H14F3N5O/c1-17-6-15-16-7(17)2-3-13-4-8(18)14-5-9(10,11)12/h6,13H,2-5H2,1H3,(H,14,18)
InChIKeyNNAAUIQNXNMSRM-UHFFFAOYSA-N
XLogP-0.37
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47252639
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71974203
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91762528
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 91792781
4,4,4-trifluoro-N-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]butanamide
CID 118778679
N~2~-acetyl-N~1~-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]glycinamide
CID 118796223
2-[cyclopentyl(methyl)amino]-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 129608788
2-[3-(Trifluoromethyl)-1,2,4-triazol-4-yl]acetamide
CID 54067350
N-(2-fluoroethyl)-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 88390347
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
4-(2,2,3,3,3-Pentafluoropropyl)-1,2,4-triazole-3-carboxamide
CID 169094234

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 63332288) is 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cn1cnnc1CCNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NNAAUIQNXNMSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-17-6-15-16-7(17)2-3-13-4-8(18)14-5-9(10,11)12/h6,13H,2-5H2,1H3,(H,14,18).
What are the key properties of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.24 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63332288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).