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

C19H28N6 — CID 53189697

IUPAC7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1nn2c(C3CC3)nnc2cc1N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C19H28N6/c1-2-4-15(5-3-1)14-23-8-10-24(11-9-23)17-12-18-21-22-19(16-6-7-16)25(18)20-13-17/h12-13,15-16H,1-11,14H2
InChIKeyPVZUPAHRBFKCJJ-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.70
Rot. Bonds4

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

7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53189697) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53189697
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1nn2c(C3CC3)nnc2cc1N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C19H28N6/c1-2-4-15(5-3-1)14-23-8-10-24(11-9-23)17-12-18-21-22-19(16-6-7-16)25(18)20-13-17/h12-13,15-16H,1-11,14H2
InChIKeyPVZUPAHRBFKCJJ-UHFFFAOYSA-N
XLogP2.70
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.70
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-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 53189697) is 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine is c1nn2c(C3CC3)nnc2cc1N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is PVZUPAHRBFKCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-2-4-15(5-3-1)14-23-8-10-24(11-9-23)17-12-18-21-22-19(16-6-7-16)25(18)20-13-17/h12-13,15-16H,1-11,14H2.
What are the key properties of 7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine?
7-[4-(cyclohexylmethyl)piperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 340.48 g/mol, XLogP of 2.70, 4 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-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53189697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).