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

C18H22ClN5O — CID 170581210

IUPACN-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide
SMILESO=C(CN1CCn2ncnc2C1)NCC1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C18H22ClN5O/c19-15-4-1-3-14(9-15)18(5-2-6-18)12-20-17(25)11-23-7-8-24-16(10-23)21-13-22-24/h1,3-4,9,13H,2,5-8,10-12H2,(H,20,25)
InChIKeyJZHCFZJIHZZBJZ-UHFFFAOYSA-N
MW359.86 g/mol
LogP1.99
Rot. Bonds5

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

N-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide (PubChem CID 170581210) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide
PubChem CID170581210
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC NameN-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide
SMILESO=C(CN1CCn2ncnc2C1)NCC1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C18H22ClN5O/c19-15-4-1-3-14(9-15)18(5-2-6-18)12-20-17(25)11-23-7-8-24-16(10-23)21-13-22-24/h1,3-4,9,13H,2,5-8,10-12H2,(H,20,25)
InChIKeyJZHCFZJIHZZBJZ-UHFFFAOYSA-N
XLogP1.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
CID 110441339
N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide
CID 119749852
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119799732
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119799758
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 35269989
2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 95312893
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 30914150
5-[[1-(3-chlorophenyl)cyclobutyl]methylamino]pyrimidine-2-carbonitrile
CID 170580287
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
tert-butyl N-[[1-(3-chlorophenyl)cyclohexyl]methyl]carbamate
CID 70298157

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide?
The IUPAC name of N-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide (CID 170581210) is N-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide is O=C(CN1CCn2ncnc2C1)NCC1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of N-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide?
The InChIKey is JZHCFZJIHZZBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c19-15-4-1-3-14(9-15)18(5-2-6-18)12-20-17(25)11-23-7-8-24-16(10-23)21-13-22-24/h1,3-4,9,13H,2,5-8,10-12H2,(H,20,25).
What are the key properties of N-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide?
N-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide has a molecular weight of 359.86 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)cyclobutyl]methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide is sourced from PubChem (CID 170581210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).