3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C14H19N5O — CID 166279008

IUPAC3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOC[C@@H]1CCCN1c1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C14H19N5O/c1-20-9-11-3-2-8-18(11)13-7-6-12-15-16-14(10-4-5-10)19(12)17-13/h6-7,10-11H,2-5,8-9H2,1H3/t11-/m0/s1
InChIKeyRJIAMYBDIJMDOD-NSHDSACASA-N
MW273.34 g/mol
LogP1.62
Rot. Bonds4

About 3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 166279008) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID166279008
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOC[C@@H]1CCCN1c1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C14H19N5O/c1-20-9-11-3-2-8-18(11)13-7-6-12-15-16-14(10-4-5-10)19(12)17-13/h6-7,10-11H,2-5,8-9H2,1H3/t11-/m0/s1
InChIKeyRJIAMYBDIJMDOD-NSHDSACASA-N
XLogP1.62
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166183359
3-cyclopropyl-6-[2-(2-phenylethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133406824
3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133333569
3-methyl-6-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166303869
3-ethyl-6-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166235494
3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133308216
4-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 173471259
3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 166293637
3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912372
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
6-[2-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 121201557
6-[(2R)-2-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 129359535

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 166279008) is 3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is COC[C@@H]1CCCN1c1ccc2nnc(C3CC3)n2n1.
What is the InChIKey of 3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RJIAMYBDIJMDOD-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O/c1-20-9-11-3-2-8-18(11)13-7-6-12-15-16-14(10-4-5-10)19(12)17-13/h6-7,10-11H,2-5,8-9H2,1H3/t11-/m0/s1.
What are the key properties of 3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 273.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 166279008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).