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

C8H11BrClN5 — CID 87210031

IUPAC(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrobromide
SMILESBr.Cc1c(Cl)nn2c(CN)nnc2c1C
InChIInChI=1S/C8H10ClN5.BrH/c1-4-5(2)8-12-11-6(3-10)14(8)13-7(4)9;/h3,10H2,1-2H3;1H
InChIKeyYVURHRSZEGNRHF-UHFFFAOYSA-N
MW292.57 g/mol
LogP1.43
Rot. Bonds1

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

(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrobromide (PubChem CID 87210031) has the molecular formula C8H11BrClN5 and a molecular weight of 292.57 g/mol. Its IUPAC name is (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrobromide.

Molecular Properties

Compound Name(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrobromide
PubChem CID87210031
Molecular FormulaC8H11BrClN5
Molecular Weight292.57 g/mol
Exact Mass290.99
IUPAC Name(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrobromide
SMILESBr.Cc1c(Cl)nn2c(CN)nnc2c1C
InChIInChI=1S/C8H10ClN5.BrH/c1-4-5(2)8-12-11-6(3-10)14(8)13-7(4)9;/h3,10H2,1-2H3;1H
InChIKeyYVURHRSZEGNRHF-UHFFFAOYSA-N
XLogP1.43
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.57
LogP ≤ 51.43
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;hydrobromide?
The IUPAC name of (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrobromide (CID 87210031) is (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrobromide.
What is the SMILES notation for (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrobromide?
The canonical SMILES for (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrobromide is Br.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;hydrobromide?
The InChIKey is YVURHRSZEGNRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5.BrH/c1-4-5(2)8-12-11-6(3-10)14(8)13-7(4)9;/h3,10H2,1-2H3;1H.
What are the key properties of (6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrobromide?
(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrobromide has a molecular weight of 292.57 g/mol, XLogP of 1.43, 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;hydrobromide is sourced from PubChem (CID 87210031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).