6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine

C16H24N2 — CID 175618611

IUPAC6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine
SMILESCCCC(C)c1c(C(C)(C)C)cn2ncccc12
InChIInChI=1S/C16H24N2/c1-6-8-12(2)15-13(16(3,4)5)11-18-14(15)9-7-10-17-18/h7,9-12H,6,8H2,1-5H3
InChIKeyDKJUSYQXMMBVAO-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.54
Rot. Bonds3

About 6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine

6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine (PubChem CID 175618611) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine
PubChem CID175618611
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine
SMILESCCCC(C)c1c(C(C)(C)C)cn2ncccc12
InChIInChI=1S/C16H24N2/c1-6-8-12(2)15-13(16(3,4)5)11-18-14(15)9-7-10-17-18/h7,9-12H,6,8H2,1-5H3
InChIKeyDKJUSYQXMMBVAO-UHFFFAOYSA-N
XLogP4.54
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Besipirdine
CID 60691
Nerispirdine
CID 3081185
Pyrazolo(1,5-a)pyridine
CID 67507
1-methyl-N,N-dimethyltryptamine
CID 25927
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Ethyl-indol-1-yl-pyridin-4-yl-amine
CID 10561859
Indol-1-yl-methyl-pyridin-4-yl-amine
CID 10799123
Butyl-indol-1-yl-pyridin-4-yl-amine
CID 10801657
(3-Ethyl-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10850308
Nerispirdine hydrochloride
CID 9818503

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine?
The IUPAC name of 6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine (CID 175618611) is 6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine?
The canonical SMILES for 6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine is CCCC(C)c1c(C(C)(C)C)cn2ncccc12.
What is the InChIKey of 6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine?
The InChIKey is DKJUSYQXMMBVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-6-8-12(2)15-13(16(3,4)5)11-18-14(15)9-7-10-17-18/h7,9-12H,6,8H2,1-5H3.
What are the key properties of 6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine?
6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine has a molecular weight of 244.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-pentan-2-ylpyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 175618611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).