N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide

C16H19F3N4OS — CID 87019355

IUPACN-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
SMILESCC(C)CN(C(=O)CSc1nnc2ccc(C(F)(F)F)cn12)C1CC1
InChIInChI=1S/C16H19F3N4OS/c1-10(2)7-22(12-4-5-12)14(24)9-25-15-21-20-13-6-3-11(8-23(13)15)16(17,18)19/h3,6,8,10,12H,4-5,7,9H2,1-2H3
InChIKeyVHUYRSVHPZTRIW-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.49
Rot. Bonds6

About N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide

N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide (PubChem CID 87019355) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
PubChem CID87019355
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC NameN-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
SMILESCC(C)CN(C(=O)CSc1nnc2ccc(C(F)(F)F)cn12)C1CC1
InChIInChI=1S/C16H19F3N4OS/c1-10(2)7-22(12-4-5-12)14(24)9-25-15-21-20-13-6-3-11(8-23(13)15)16(17,18)19/h3,6,8,10,12H,4-5,7,9H2,1-2H3
InChIKeyVHUYRSVHPZTRIW-UHFFFAOYSA-N
XLogP3.49
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylethyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 51335070
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)acetamide
CID 6600077
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558374
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 87019730
2-methyl-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propan-2-ol
CID 110932451
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethanone
CID 31612869
N-(3,5-dimethylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 44773888
1-naphthalen-2-yl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethanone
CID 31610753
1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 31612921
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 32661092
N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide
CID 86920617
N-cyclopropyl-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 87018572

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide (CID 87019355) is N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide is CC(C)CN(C(=O)CSc1nnc2ccc(C(F)(F)F)cn12)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
The InChIKey is VHUYRSVHPZTRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-10(2)7-22(12-4-5-12)14(24)9-25-15-21-20-13-6-3-11(8-23(13)15)16(17,18)19/h3,6,8,10,12H,4-5,7,9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 87019355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).