(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine

C8H10ClN5 — CID 86650802

IUPAC(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
SMILESCc1c(Cl)nn2c(CN)nnc2c1C
InChIInChI=1S/C8H10ClN5/c1-4-5(2)8-12-11-6(3-10)14(8)13-7(4)9/h3,10H2,1-2H3
InChIKeyALDBTYZYPZNMQH-UHFFFAOYSA-N
MW211.66 g/mol
LogP0.85
Rot. Bonds1

About (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine

(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine (PubChem CID 86650802) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
PubChem CID86650802
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
SMILESCc1c(Cl)nn2c(CN)nnc2c1C
InChIInChI=1S/C8H10ClN5/c1-4-5(2)8-12-11-6(3-10)14(8)13-7(4)9/h3,10H2,1-2H3
InChIKeyALDBTYZYPZNMQH-UHFFFAOYSA-N
XLogP0.85
TPSA69.10 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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine?
The IUPAC name of (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine (CID 86650802) is (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine.
What is the SMILES notation for (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine?
The canonical SMILES for (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine is Cc1c(Cl)nn2c(CN)nnc2c1C.
What is the InChIKey of (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine?
The InChIKey is ALDBTYZYPZNMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c1-4-5(2)8-12-11-6(3-10)14(8)13-7(4)9/h3,10H2,1-2H3.
What are the key properties of (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine?
(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine has a molecular weight of 211.66 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine is sourced from PubChem (CID 86650802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).