3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine

C12H18N4 — CID 163424828

IUPAC3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine
SMILESCCCc1c(C)nnc2c(CC)nn(C)c12
InChIInChI=1S/C12H18N4/c1-5-7-9-8(3)13-14-11-10(6-2)15-16(4)12(9)11/h5-7H2,1-4H3
InChIKeyALONSIDUHQUUBN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.19
Rot. Bonds3

About 3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine

3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine (PubChem CID 163424828) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine.

Molecular Properties

Compound Name3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine
PubChem CID163424828
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine
SMILESCCCc1c(C)nnc2c(CC)nn(C)c12
InChIInChI=1S/C12H18N4/c1-5-7-9-8(3)13-14-11-10(6-2)15-16(4)12(9)11/h5-7H2,1-4H3
InChIKeyALONSIDUHQUUBN-UHFFFAOYSA-N
XLogP2.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-Dimethyl-3-phenyl-2H-pyrazolo[4,3-b]pyridin-7-yl)-dipropyl-amine
CID 44341455
2-Ethyl-3-methyl-4,5,6,7-tetradehydroindazole
CID 57642800
2,4,6,7-Tetramethyltriazolo[4,5-c]pyridine
CID 57711755
2,4-Diethyl-5,6,7-trimethylpyrazolo[1,5-a]pyridin-3-amine
CID 57806265
2,3,4,5,6,7-Hexamethylpyrazolo[1,5-a]pyridine
CID 58351278
2,3,4,6,7-Pentamethylpyrazolo[1,5-a]pyrazine
CID 58351284
1,3-Ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine
CID 58816518
1,3-Ditert-butyl-4,5,7-trimethylpyrazolo[5,4-c]pyridine
CID 58816523
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
(1,3,7-Trimethylpyrazolo[4,5-b]pyridin-5-yl)methanamine
CID 67082979
(1,3-Dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine
CID 67083316

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine?
The IUPAC name of 3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine (CID 163424828) is 3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine.
What is the SMILES notation for 3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine?
The canonical SMILES for 3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine is CCCc1c(C)nnc2c(CC)nn(C)c12.
What is the InChIKey of 3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine?
The InChIKey is ALONSIDUHQUUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-5-7-9-8(3)13-14-11-10(6-2)15-16(4)12(9)11/h5-7H2,1-4H3.
What are the key properties of 3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine?
3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine has a molecular weight of 218.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine is sourced from PubChem (CID 163424828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).