7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C16H24N6 — CID 53189606

IUPAC7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1nn2cnnc2cc1N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C16H24N6/c1-2-4-14(5-3-1)12-20-6-8-21(9-7-20)15-10-16-19-17-13-22(16)18-11-15/h10-11,13-14H,1-9,12H2
InChIKeyAZQHWESBPBSTQH-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.83
Rot. Bonds3

About 7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53189606) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53189606
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1nn2cnnc2cc1N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C16H24N6/c1-2-4-14(5-3-1)12-20-6-8-21(9-7-20)15-10-16-19-17-13-22(16)18-11-15/h10-11,13-14H,1-9,12H2
InChIKeyAZQHWESBPBSTQH-UHFFFAOYSA-N
XLogP1.83
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US9682980, 8-Chloro-3-(cyclopropylmethyl)-7-(4-(pyrimidin-2-yl)piperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 132471144
US9682980, 8-Chloro-3-neopentyl-7-(4-(pyrimidin-2-yl)piperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 132471145
7-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 53189608
1-{[1,2,4]Triazolo[4,3-B]pyridazin-7-YL}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine
CID 53189612
7-(4-Propylpiperazino)[1,2,4]triazolo[4,3-b]pyridazine
CID 53189614
6-[4-(Cyclohexylmethyl)-2-methylpiperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 53567951
6-[4-(Cyclopentylmethyl)-2-methylpiperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 53567999
7-[4-(4-Isopropylbenzyl)piperazino][1,2,4]triazolo[4,3-b]pyridazine
CID 53189610
7-(4-Benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53189637
7-[4-(Cyclohexylmethyl)piperazino]-3-methyl[1,2,4]triazolo[4,3-b]pyridazine
CID 53189647
7-[4-(Cyclohexylmethyl)piperazino]-3-cyclopropyl[1,2,4]triazolo[4,3-b]pyridazine
CID 53189697
8-(4-Benzyl-1-piperazinyl)-6-methyl[1,2,4]triazolo[4,3-b]pyridazine
CID 27240940

Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 53189606) is 7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is c1nn2cnnc2cc1N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AZQHWESBPBSTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-2-4-14(5-3-1)12-20-6-8-21(9-7-20)15-10-16-19-17-13-22(16)18-11-15/h10-11,13-14H,1-9,12H2.
What are the key properties of 7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 300.41 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53189606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).