3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H24N6O — CID 97062915

IUPAC3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOCCN1CCC[C@H](Nc2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C16H24N6O/c1-23-10-9-21-8-2-3-13(11-21)17-14-6-7-15-18-19-16(12-4-5-12)22(15)20-14/h6-7,12-13H,2-5,8-11H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyYJQOWZPXNJECAB-ZDUSSCGKSA-N
MW316.41 g/mol
LogP1.52
Rot. Bonds6

About 3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 97062915) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID97062915
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOCCN1CCC[C@H](Nc2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C16H24N6O/c1-23-10-9-21-8-2-3-13(11-21)17-14-6-7-15-18-19-16(12-4-5-12)22(15)20-14/h6-7,12-13H,2-5,8-11H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyYJQOWZPXNJECAB-ZDUSSCGKSA-N
XLogP1.52
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

3-cyclopropyl-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133383342
3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294975
3-cyclopropyl-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295400
3-cyclopropyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294585
3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295175
N-cyclopentyl-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
CID 115616375
N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95590480
3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166279008
3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71870989
N'-hydroxy-2-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-1H-benzimidazole-4-carboximidamide
CID 122704227
3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133445550
3-cyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294997

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 97062915) is 3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COCCN1CCC[C@H](Nc2ccc3nnc(C4CC4)n3n2)C1.
What is the InChIKey of 3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is YJQOWZPXNJECAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6O/c1-23-10-9-21-8-2-3-13(11-21)17-14-6-7-15-18-19-16(12-4-5-12)22(15)20-14/h6-7,12-13H,2-5,8-11H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 316.41 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 97062915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).