1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine

C12H18N2 — CID 91071452

IUPAC1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESCCc1nnc(C(C)C)c2c1CCC2
InChIInChI=1S/C12H18N2/c1-4-11-9-6-5-7-10(9)12(8(2)3)14-13-11/h8H,4-7H2,1-3H3
InChIKeyDXLPAOBNNKBBJU-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.65
Rot. Bonds2

About 1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine

1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine (PubChem CID 91071452) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine.

Molecular Properties

Compound Name1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine
PubChem CID91071452
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESCCc1nnc(C(C)C)c2c1CCC2
InChIInChI=1S/C12H18N2/c1-4-11-9-6-5-7-10(9)12(8(2)3)14-13-11/h8H,4-7H2,1-3H3
InChIKeyDXLPAOBNNKBBJU-UHFFFAOYSA-N
XLogP2.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The IUPAC name of 1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine (CID 91071452) is 1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine.
What is the SMILES notation for 1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The canonical SMILES for 1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine is CCc1nnc(C(C)C)c2c1CCC2.
What is the InChIKey of 1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The InChIKey is DXLPAOBNNKBBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-11-9-6-5-7-10(9)12(8(2)3)14-13-11/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine has a molecular weight of 190.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine is sourced from PubChem (CID 91071452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).