2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine

C9H9ClN4 — CID 165134092

IUPAC2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESClCc1nc2ccc(C3CC3)nn2n1
InChIInChI=1S/C9H9ClN4/c10-5-8-11-9-4-3-7(6-1-2-6)12-14(9)13-8/h3-4,6H,1-2,5H2
InChIKeyUGDRDUOFSOVSHZ-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.74
Rot. Bonds2

About 2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine

2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 165134092) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID165134092
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESClCc1nc2ccc(C3CC3)nn2n1
InChIInChI=1S/C9H9ClN4/c10-5-8-11-9-4-3-7(6-1-2-6)12-14(9)13-8/h3-4,6H,1-2,5H2
InChIKeyUGDRDUOFSOVSHZ-UHFFFAOYSA-N
XLogP1.74
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 158504420
6-chloro-2-cyclopropylimidazo[1,2-a]pyridine
CID 915895
1-[4-(chloromethyl)phenyl]-3-cyclopropylpyrazole
CID 62489182
2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride
CID 67974654
5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole
CID 62489333
1-(6-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine
CID 116822454
2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 116822338
1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine
CID 116822448
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567
4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine
CID 113380789
2-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 121206446
3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine
CID 139343513

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine (CID 165134092) is 2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine is ClCc1nc2ccc(C3CC3)nn2n1.
What is the InChIKey of 2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is UGDRDUOFSOVSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-5-8-11-9-4-3-7(6-1-2-6)12-14(9)13-8/h3-4,6H,1-2,5H2.
What are the key properties of 2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine?
2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 208.65 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-cyclopropyl-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 165134092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).