6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C20H22N8 — CID 178159140

IUPAC6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(-c2cc(C3CC3c3cnn4c3CCC4)nn2C)nn2c(C)nnc12
InChIInChI=1S/C20H22N8/c1-11-7-17(25-28-12(2)22-23-20(11)28)19-9-16(24-26(19)3)14-8-13(14)15-10-21-27-6-4-5-18(15)27/h7,9-10,13-14H,4-6,8H2,1-3H3
InChIKeyJMCQQEXJRBIRFW-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.56
Rot. Bonds3

About 6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 178159140) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID178159140
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(-c2cc(C3CC3c3cnn4c3CCC4)nn2C)nn2c(C)nnc12
InChIInChI=1S/C20H22N8/c1-11-7-17(25-28-12(2)22-23-20(11)28)19-9-16(24-26(19)3)14-8-13(14)15-10-21-27-6-4-5-18(15)27/h7,9-10,13-14H,4-6,8H2,1-3H3
InChIKeyJMCQQEXJRBIRFW-UHFFFAOYSA-N
XLogP2.56
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 178159140) is 6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(-c2cc(C3CC3c3cnn4c3CCC4)nn2C)nn2c(C)nnc12.
What is the InChIKey of 6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JMCQQEXJRBIRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-11-7-17(25-28-12(2)22-23-20(11)28)19-9-16(24-26(19)3)14-8-13(14)15-10-21-27-6-4-5-18(15)27/h7,9-10,13-14H,4-6,8H2,1-3H3.
What are the key properties of 6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 374.45 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 178159140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).