1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride

C7H13Cl2N3 — CID 91812177

IUPAC1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride
SMILESCc1nccn1C1CNC1.Cl.Cl
InChIInChI=1S/C7H11N3.2ClH/c1-6-9-2-3-10(6)7-4-8-5-7;;/h2-3,7-8H,4-5H2,1H3;2*1H
InChIKeyFZUMZIAEMHIPBE-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.18
Rot. Bonds1

About 1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride

1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride (PubChem CID 91812177) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride
PubChem CID91812177
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride
SMILESCc1nccn1C1CNC1.Cl.Cl
InChIInChI=1S/C7H11N3.2ClH/c1-6-9-2-3-10(6)7-4-8-5-7;;/h2-3,7-8H,4-5H2,1H3;2*1H
InChIKeyFZUMZIAEMHIPBE-UHFFFAOYSA-N
XLogP1.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride?
The IUPAC name of 1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride (CID 91812177) is 1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride is Cc1nccn1C1CNC1.Cl.Cl.
What is the InChIKey of 1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride?
The InChIKey is FZUMZIAEMHIPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c1-6-9-2-3-10(6)7-4-8-5-7;;/h2-3,7-8H,4-5H2,1H3;2*1H.
What are the key properties of 1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride?
1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride is sourced from PubChem (CID 91812177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).