1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine

C11H10ClN3 — CID 140542205

IUPAC1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine
SMILESC=C1CC(c2nc(Cl)c3cnccn23)C1
InChIInChI=1S/C11H10ClN3/c1-7-4-8(5-7)11-14-10(12)9-6-13-2-3-15(9)11/h2-3,6,8H,1,4-5H2
InChIKeyVPFNJICENBYGFE-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.82
Rot. Bonds1

About 1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine

1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine (PubChem CID 140542205) has the molecular formula C11H10ClN3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine
PubChem CID140542205
Molecular FormulaC11H10ClN3
Molecular Weight219.67 g/mol
Exact Mass219.06
IUPAC Name1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine
SMILESC=C1CC(c2nc(Cl)c3cnccn23)C1
InChIInChI=1S/C11H10ClN3/c1-7-4-8(5-7)11-14-10(12)9-6-13-2-3-15(9)11/h2-3,6,8H,1,4-5H2
InChIKeyVPFNJICENBYGFE-UHFFFAOYSA-N
XLogP2.82
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine?
The IUPAC name of 1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine (CID 140542205) is 1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine is C=C1CC(c2nc(Cl)c3cnccn23)C1.
What is the InChIKey of 1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine?
The InChIKey is VPFNJICENBYGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-7-4-8(5-7)11-14-10(12)9-6-13-2-3-15(9)11/h2-3,6,8H,1,4-5H2.
What are the key properties of 1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine?
1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine has a molecular weight of 219.67 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 140542205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).