6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride

C10H14ClN5O — CID 138987947

IUPAC6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride
SMILESCOc1ccc2nnc(C3CCCN3)n2n1.Cl
InChIInChI=1S/C10H13N5O.ClH/c1-16-9-5-4-8-12-13-10(15(8)14-9)7-3-2-6-11-7;/h4-5,7,11H,2-3,6H2,1H3;1H
InChIKeyNEZVIFIFMTUKLF-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.98
Rot. Bonds2

About 6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride

6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride (PubChem CID 138987947) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride.

Molecular Properties

Compound Name6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride
PubChem CID138987947
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride
SMILESCOc1ccc2nnc(C3CCCN3)n2n1.Cl
InChIInChI=1S/C10H13N5O.ClH/c1-16-9-5-4-8-12-13-10(15(8)14-9)7-3-2-6-11-7;/h4-5,7,11H,2-3,6H2,1H3;1H
InChIKeyNEZVIFIFMTUKLF-UHFFFAOYSA-N
XLogP0.98
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84696751
6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 102567910
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84700446
3-methoxy-6-pyrrolidin-2-ylpyridazine
CID 117105794
6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982435
6-(3-bromophenyl)-3-[(2S)-pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982175
6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982464
6-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55273653
6-methoxy-3-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911515
6-fluoro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750912
6-chloro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750911
8-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750915

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride?
The IUPAC name of 6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride (CID 138987947) is 6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride.
What is the SMILES notation for 6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride?
The canonical SMILES for 6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride is COc1ccc2nnc(C3CCCN3)n2n1.Cl.
What is the InChIKey of 6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride?
The InChIKey is NEZVIFIFMTUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O.ClH/c1-16-9-5-4-8-12-13-10(15(8)14-9)7-3-2-6-11-7;/h4-5,7,11H,2-3,6H2,1H3;1H.
What are the key properties of 6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride?
6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride has a molecular weight of 255.71 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride is sourced from PubChem (CID 138987947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).