6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C8H10ClN5 — CID 87444528

IUPAC6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCNc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C8H10ClN5/c1-4-5(2)7-11-12-8(10-3)14(7)13-6(4)9/h1-3H3,(H,10,12)
InChIKeyDVMPQAMIYFQCGJ-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.44
Rot. Bonds1

About 6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 87444528) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is 6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID87444528
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCNc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C8H10ClN5/c1-4-5(2)7-11-12-8(10-3)14(7)13-6(4)9/h1-3H3,(H,10,12)
InChIKeyDVMPQAMIYFQCGJ-UHFFFAOYSA-N
XLogP1.44
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 87444528) is 6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is CNc1nnc2c(C)c(C)c(Cl)nn12.
What is the InChIKey of 6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is DVMPQAMIYFQCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c1-4-5(2)7-11-12-8(10-3)14(7)13-6(4)9/h1-3H3,(H,10,12).
What are the key properties of 6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 211.66 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 87444528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).