3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine

C15H21ClN4 — CID 43327033

IUPAC3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCCCC1CCC(c2nnc3ccc(Cl)nn23)CC1
InChIInChI=1S/C15H21ClN4/c1-2-3-4-11-5-7-12(8-6-11)15-18-17-14-10-9-13(16)19-20(14)15/h9-12H,2-8H2,1H3
InChIKeyVBXLHRHTINAZMM-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.24
Rot. Bonds4

About 3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine

3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 43327033) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID43327033
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCCCC1CCC(c2nnc3ccc(Cl)nn23)CC1
InChIInChI=1S/C15H21ClN4/c1-2-3-4-11-5-7-12(8-6-11)15-18-17-14-10-9-13(16)19-20(14)15/h9-12H,2-8H2,1H3
InChIKeyVBXLHRHTINAZMM-UHFFFAOYSA-N
XLogP4.24
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine
CID 79525077
6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555460
4-(4-butylcyclohexyl)-6-chloropyrimidine
CID 121205634
6-chloro-3-(thian-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 80595030
4-(4-butylcyclohexyl)pyridine;ethane
CID 143311003
3-(2-adamantyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
CID 81100557
3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine
CID 14744678
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84700446
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol
CID 63519665

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine (CID 43327033) is 3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine is CCCCC1CCC(c2nnc3ccc(Cl)nn23)CC1.
What is the InChIKey of 3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VBXLHRHTINAZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-2-3-4-11-5-7-12(8-6-11)15-18-17-14-10-9-13(16)19-20(14)15/h9-12H,2-8H2,1H3.
What are the key properties of 3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 292.81 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 43327033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).