1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide

C15H21F3N4O — CID 136560297

IUPAC1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCCC1(C(=O)N(C)Cc2nnc3n2CCCC3C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O/c1-3-14(6-7-14)13(23)21(2)9-11-19-20-12-10(15(16,17)18)5-4-8-22(11)12/h10H,3-9H2,1-2H3
InChIKeyAMCQYDCCLBCYPH-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.87
Rot. Bonds4

About 1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide

1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 136560297) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID136560297
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCCC1(C(=O)N(C)Cc2nnc3n2CCCC3C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O/c1-3-14(6-7-14)13(23)21(2)9-11-19-20-12-10(15(16,17)18)5-4-8-22(11)12/h10H,3-9H2,1-2H3
InChIKeyAMCQYDCCLBCYPH-UHFFFAOYSA-N
XLogP2.87
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide (CID 136560297) is 1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide is CCC1(C(=O)N(C)Cc2nnc3n2CCCC3C(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is AMCQYDCCLBCYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-3-14(6-7-14)13(23)21(2)9-11-19-20-12-10(15(16,17)18)5-4-8-22(11)12/h10H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide?
1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 136560297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).