6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C20H24N8 — CID 178159098

IUPAC6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCn1cc(C2CC2c2cc(-c3cc(C)c4nnc(C)n4n3)n(CC)n2)cn1
InChIInChI=1S/C20H24N8/c1-5-26-11-14(10-21-26)15-8-16(15)17-9-19(27(6-2)24-17)18-7-12(3)20-23-22-13(4)28(20)25-18/h7,9-11,15-16H,5-6,8H2,1-4H3
InChIKeyVZBCWTOPDXIJOM-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.11
Rot. Bonds5

About 6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 178159098) has the molecular formula C20H24N8 and a molecular weight of 376.47 g/mol. Its IUPAC name is 6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID178159098
Molecular FormulaC20H24N8
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC Name6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCn1cc(C2CC2c2cc(-c3cc(C)c4nnc(C)n4n3)n(CC)n2)cn1
InChIInChI=1S/C20H24N8/c1-5-26-11-14(10-21-26)15-8-16(15)17-9-19(27(6-2)24-17)18-7-12(3)20-23-22-13(4)28(20)25-18/h7,9-11,15-16H,5-6,8H2,1-4H3
InChIKeyVZBCWTOPDXIJOM-UHFFFAOYSA-N
XLogP3.11
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 178159098) is 6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is CCn1cc(C2CC2c2cc(-c3cc(C)c4nnc(C)n4n3)n(CC)n2)cn1.
What is the InChIKey of 6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VZBCWTOPDXIJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8/c1-5-26-11-14(10-21-26)15-8-16(15)17-9-19(27(6-2)24-17)18-7-12(3)20-23-22-13(4)28(20)25-18/h7,9-11,15-16H,5-6,8H2,1-4H3.
What are the key properties of 6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 376.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 178159098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).