(3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone

C17H17N5O — CID 154869578

IUPAC(3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone
SMILESCC1(Cc2ccccc2)CN(C(=O)c2cn3cnnc3cn2)C1
InChIInChI=1S/C17H17N5O/c1-17(7-13-5-3-2-4-6-13)10-22(11-17)16(23)14-9-21-12-19-20-15(21)8-18-14/h2-6,8-9,12H,7,10-11H2,1H3
InChIKeyXMDSANSWBOZZRW-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.83
Rot. Bonds3

About (3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone

(3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone (PubChem CID 154869578) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is (3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone.

Molecular Properties

Compound Name(3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone
PubChem CID154869578
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name(3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone
SMILESCC1(Cc2ccccc2)CN(C(=O)c2cn3cnnc3cn2)C1
InChIInChI=1S/C17H17N5O/c1-17(7-13-5-3-2-4-6-13)10-22(11-17)16(23)14-9-21-12-19-20-15(21)8-18-14/h2-6,8-9,12H,7,10-11H2,1H3
InChIKeyXMDSANSWBOZZRW-UHFFFAOYSA-N
XLogP1.83
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 164653443
(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 167802192
(E)-1-[(Z)-[(Z)-2-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)but-2-enylidene]amino]prop-1-en-1-ol
CID 169263170
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride
CID 120809724
2-[3-methyl-3-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055855
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274289
1-(1-benzyl-6-oxopyridazine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256456
(4-amino-3,3-dimethylpiperidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 120816284
5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid
CID 122048029
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283935
2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97411912

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone?
The IUPAC name of (3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone (CID 154869578) is (3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone.
What is the SMILES notation for (3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone?
The canonical SMILES for (3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone is CC1(Cc2ccccc2)CN(C(=O)c2cn3cnnc3cn2)C1.
What is the InChIKey of (3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone?
The InChIKey is XMDSANSWBOZZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-17(7-13-5-3-2-4-6-13)10-22(11-17)16(23)14-9-21-12-19-20-15(21)8-18-14/h2-6,8-9,12H,7,10-11H2,1H3.
What are the key properties of (3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone?
(3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone has a molecular weight of 307.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone is sourced from PubChem (CID 154869578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).