1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine

C12H19N3 — CID 177071182

IUPAC1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
SMILESCC(C)c1nnc(C(C)C)c2c1CNC2
InChIInChI=1S/C12H19N3/c1-7(2)11-9-5-13-6-10(9)12(8(3)4)15-14-11/h7-8,13H,5-6H2,1-4H3
InChIKeyKEAWLAMJTBLNFM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.33
Rot. Bonds2

About 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine

1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine (PubChem CID 177071182) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
PubChem CID177071182
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
SMILESCC(C)c1nnc(C(C)C)c2c1CNC2
InChIInChI=1S/C12H19N3/c1-7(2)11-9-5-13-6-10(9)12(8(3)4)15-14-11/h7-8,13H,5-6H2,1-4H3
InChIKeyKEAWLAMJTBLNFM-UHFFFAOYSA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
The IUPAC name of 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine (CID 177071182) is 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
The canonical SMILES for 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine is CC(C)c1nnc(C(C)C)c2c1CNC2.
What is the InChIKey of 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
The InChIKey is KEAWLAMJTBLNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-7(2)11-9-5-13-6-10(9)12(8(3)4)15-14-11/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine has a molecular weight of 205.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 177071182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).