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

C17H26N6 — CID 53189647

IUPAC7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2cc(N3CCN(CC4CCCCC4)CC3)cnn12
InChIInChI=1S/C17H26N6/c1-14-19-20-17-11-16(12-18-23(14)17)22-9-7-21(8-10-22)13-15-5-3-2-4-6-15/h11-12,15H,2-10,13H2,1H3
InChIKeyFLWLUPLSFPMETM-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.14
Rot. Bonds3

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

7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53189647) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53189647
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2cc(N3CCN(CC4CCCCC4)CC3)cnn12
InChIInChI=1S/C17H26N6/c1-14-19-20-17-11-16(12-18-23(14)17)22-9-7-21(8-10-22)13-15-5-3-2-4-6-15/h11-12,15H,2-10,13H2,1H3
InChIKeyFLWLUPLSFPMETM-UHFFFAOYSA-N
XLogP2.14
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 53189647) is 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2cc(N3CCN(CC4CCCCC4)CC3)cnn12.
What is the InChIKey of 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FLWLUPLSFPMETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-14-19-20-17-11-16(12-18-23(14)17)22-9-7-21(8-10-22)13-15-5-3-2-4-6-15/h11-12,15H,2-10,13H2,1H3.
What are the key properties of 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 314.44 g/mol, XLogP of 2.14, 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]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53189647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).