N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide

C20H23ClF3N5O — CID 170578752

IUPACN-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
SMILESO=C(CN1CCn2c(nnc2C(F)(F)F)C1)NC(c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C20H23ClF3N5O/c21-15-7-3-6-14(10-15)18(13-4-1-2-5-13)25-17(30)12-28-8-9-29-16(11-28)26-27-19(29)20(22,23)24/h3,6-7,10,13,18H,1-2,4-5,8-9,11-12H2,(H,25,30)
InChIKeyQEPSNMAVOYRJIP-UHFFFAOYSA-N
MW441.89 g/mol
LogP3.81
Rot. Bonds5

About N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide

N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide (PubChem CID 170578752) has the molecular formula C20H23ClF3N5O and a molecular weight of 441.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
PubChem CID170578752
Molecular FormulaC20H23ClF3N5O
Molecular Weight441.89 g/mol
Exact Mass441.15
IUPAC NameN-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
SMILESO=C(CN1CCn2c(nnc2C(F)(F)F)C1)NC(c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C20H23ClF3N5O/c21-15-7-3-6-14(10-15)18(13-4-1-2-5-13)25-17(30)12-28-8-9-29-16(11-28)26-27-19(29)20(22,23)24/h3,6-7,10,13,18H,1-2,4-5,8-9,11-12H2,(H,25,30)
InChIKeyQEPSNMAVOYRJIP-UHFFFAOYSA-N
XLogP3.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 95295562
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 95289306
7-[(3-chlorophenyl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 163351841
1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 155944781
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 170580748
N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 124610117
3-chloro-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]benzoic acid
CID 136550573
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide
CID 170580171
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 165430372
methyl 4-[[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetyl]amino]benzoate
CID 171701463
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856
4-chloro-3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]benzoic acid
CID 136550574

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide (CID 170578752) is N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide is O=C(CN1CCn2c(nnc2C(F)(F)F)C1)NC(c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
The InChIKey is QEPSNMAVOYRJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF3N5O/c21-15-7-3-6-14(10-15)18(13-4-1-2-5-13)25-17(30)12-28-8-9-29-16(11-28)26-27-19(29)20(22,23)24/h3,6-7,10,13,18H,1-2,4-5,8-9,11-12H2,(H,25,30).
What are the key properties of N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide has a molecular weight of 441.89 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 170578752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).