(3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone

C8H8N6O — CID 121200757

IUPAC(3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone
SMILES[N-]=[N+]=NC1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C8H8N6O/c9-13-12-6-4-14(5-6)8(15)7-3-10-1-2-11-7/h1-3,6H,4-5H2
InChIKeyAFONYYDWSYDUMS-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.61
Rot. Bonds2

About (3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone

(3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone (PubChem CID 121200757) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is (3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone
PubChem CID121200757
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name(3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone
SMILES[N-]=[N+]=NC1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C8H8N6O/c9-13-12-6-4-14(5-6)8(15)7-3-10-1-2-11-7/h1-3,6H,4-5H2
InChIKeyAFONYYDWSYDUMS-UHFFFAOYSA-N
XLogP0.61
TPSA94.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone
CID 136518326
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
[(3aR,6aS)-2-(cyclopropylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97377072
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
(3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 121200546
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
(3aR,6aS)-2-(pyrazine-2-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97401822
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748
[(3aR,6aS)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97457905
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959

Frequently Asked Questions

What is the IUPAC name of (3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone (CID 121200757) is (3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone is [N-]=[N+]=NC1CN(C(=O)c2cnccn2)C1.
What is the InChIKey of (3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone?
The InChIKey is AFONYYDWSYDUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O/c9-13-12-6-4-14(5-6)8(15)7-3-10-1-2-11-7/h1-3,6H,4-5H2.
What are the key properties of (3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone?
(3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone has a molecular weight of 204.19 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 121200757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).