3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine

C10H18N2 — CID 174345655

IUPAC3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine
SMILESCC1=CCNNC1CC1CCC1
InChIInChI=1S/C10H18N2/c1-8-5-6-11-12-10(8)7-9-3-2-4-9/h5,9-12H,2-4,6-7H2,1H3
InChIKeyPIUQTXFCAVAEIF-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.60
Rot. Bonds2

About 3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine

3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine (PubChem CID 174345655) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine
PubChem CID174345655
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine
SMILESCC1=CCNNC1CC1CCC1
InChIInChI=1S/C10H18N2/c1-8-5-6-11-12-10(8)7-9-3-2-4-9/h5,9-12H,2-4,6-7H2,1H3
InChIKeyPIUQTXFCAVAEIF-UHFFFAOYSA-N
XLogP1.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine?
The IUPAC name of 3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine (CID 174345655) is 3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine.
What is the SMILES notation for 3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine?
The canonical SMILES for 3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine is CC1=CCNNC1CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine?
The InChIKey is PIUQTXFCAVAEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8-5-6-11-12-10(8)7-9-3-2-4-9/h5,9-12H,2-4,6-7H2,1H3.
What are the key properties of 3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine?
3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine has a molecular weight of 166.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-4-methyl-1,2,3,6-tetrahydropyridazine is sourced from PubChem (CID 174345655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).