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

C18H23N5O — CID 71925893

IUPACN-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
SMILESO=C(CN1CCn2c(nnc2-c2ccccc2)C1)NCC1CCC1
InChIInChI=1S/C18H23N5O/c24-17(19-11-14-5-4-6-14)13-22-9-10-23-16(12-22)20-21-18(23)15-7-2-1-3-8-15/h1-3,7-8,14H,4-6,9-13H2,(H,19,24)
InChIKeyBAAZYEPVQCENRP-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.68
Rot. Bonds5

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

N-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide (PubChem CID 71925893) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
PubChem CID71925893
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
SMILESO=C(CN1CCn2c(nnc2-c2ccccc2)C1)NCC1CCC1
InChIInChI=1S/C18H23N5O/c24-17(19-11-14-5-4-6-14)13-22-9-10-23-16(12-22)20-21-18(23)15-7-2-1-3-8-15/h1-3,7-8,14H,4-6,9-13H2,(H,19,24)
InChIKeyBAAZYEPVQCENRP-UHFFFAOYSA-N
XLogP1.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532
1-[2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxylic acid
CID 167935577
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
benzyl 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 58417718
2-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 120704817
N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136546232
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 9434473
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124
(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone
CID 119898795
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460598

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide (CID 71925893) is N-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide is O=C(CN1CCn2c(nnc2-c2ccccc2)C1)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
The InChIKey is BAAZYEPVQCENRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-17(19-11-14-5-4-6-14)13-22-9-10-23-16(12-22)20-21-18(23)15-7-2-1-3-8-15/h1-3,7-8,14H,4-6,9-13H2,(H,19,24).
What are the key properties of N-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
N-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide has a molecular weight of 325.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide is sourced from PubChem (CID 71925893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).