6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C14H19ClN4 — CID 81438465

IUPAC6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(CC3CCCCC3)nnc2c1C
InChIInChI=1S/C14H19ClN4/c1-9-10(2)14-17-16-12(19(14)18-13(9)15)8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKeyWCXMOBCZGHCCPA-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.52
Rot. Bonds2

About 6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 81438465) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID81438465
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(CC3CCCCC3)nnc2c1C
InChIInChI=1S/C14H19ClN4/c1-9-10(2)14-17-16-12(19(14)18-13(9)15)8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKeyWCXMOBCZGHCCPA-UHFFFAOYSA-N
XLogP3.52
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 81438465) is 6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1c(Cl)nn2c(CC3CCCCC3)nnc2c1C.
What is the InChIKey of 6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WCXMOBCZGHCCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-9-10(2)14-17-16-12(19(14)18-13(9)15)8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3.
What are the key properties of 6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 278.79 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclohexylmethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 81438465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).