6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C10H13ClN4 — CID 81438727

IUPAC6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(C(C)C)nnc2c1C
InChIInChI=1S/C10H13ClN4/c1-5(2)9-12-13-10-7(4)6(3)8(11)14-15(9)10/h5H,1-4H3
InChIKeyPXAQBPVFNNQRFB-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.52
Rot. Bonds1

About 6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 81438727) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID81438727
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(C(C)C)nnc2c1C
InChIInChI=1S/C10H13ClN4/c1-5(2)9-12-13-10-7(4)6(3)8(11)14-15(9)10/h5H,1-4H3
InChIKeyPXAQBPVFNNQRFB-UHFFFAOYSA-N
XLogP2.52
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 81438727) is 6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1c(Cl)nn2c(C(C)C)nnc2c1C.
What is the InChIKey of 6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is PXAQBPVFNNQRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-5(2)9-12-13-10-7(4)6(3)8(11)14-15(9)10/h5H,1-4H3.
What are the key properties of 6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 224.69 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 81438727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).