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

C12H19N3 — CID 177071238

IUPAC4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine
SMILESCC(C)c1nnc(C(C)C)c2c1CCN2
InChIInChI=1S/C12H19N3/c1-7(2)10-9-5-6-13-12(9)11(8(3)4)15-14-10/h7-8,13H,5-6H2,1-4H3
InChIKeyRWLXZUSYVBQJBJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.69
Rot. Bonds2

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

4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine (PubChem CID 177071238) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine.

Molecular Properties

Compound Name4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine
PubChem CID177071238
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine
SMILESCC(C)c1nnc(C(C)C)c2c1CCN2
InChIInChI=1S/C12H19N3/c1-7(2)10-9-5-6-13-12(9)11(8(3)4)15-14-10/h7-8,13H,5-6H2,1-4H3
InChIKeyRWLXZUSYVBQJBJ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine
CID 134987024
3-[(4-Fluorophenyl)methyl]-6,7-dihydro-7,7-dimethyl-5H-pyrrolo[3,2-c]pyridazine
CID 90102795
3-(1,1-Difluorobutyl)-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
CID 118364274
3-(4-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine
CID 84647311
3-(3-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine
CID 84647312
3-(2-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine
CID 84647313
2,4-Diethyl-5,6,7-trimethylpyrazolo[1,5-a]pyridin-3-amine
CID 57806265
1,2,6,7-tetramethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazine
CID 58095900
CID 58499084
CID 58499084
2,3,4,6,7-Pentamethylpyrrolo[1,2-b]pyridazin-5-amine
CID 59016891
2,4,5,6,7-Pentamethylpyrazolo[1,5-a]pyridin-3-amine
CID 59318674
2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
CID 70289743

Frequently Asked Questions

What is the IUPAC name of 4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine?
The IUPAC name of 4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine (CID 177071238) is 4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine.
What is the SMILES notation for 4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine?
The canonical SMILES for 4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine is CC(C)c1nnc(C(C)C)c2c1CCN2.
What is the InChIKey of 4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine?
The InChIKey is RWLXZUSYVBQJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-7(2)10-9-5-6-13-12(9)11(8(3)4)15-14-10/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine?
4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine has a molecular weight of 205.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine is sourced from PubChem (CID 177071238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).