3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C20H23N5O — CID 95977921

IUPAC3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(C2(CNc3ccc4nnc([C@H]5CCCO5)n4n3)CCC2)cc1
InChIInChI=1S/C20H23N5O/c1-2-6-15(7-3-1)20(11-5-12-20)14-21-17-9-10-18-22-23-19(25(18)24-17)16-8-4-13-26-16/h1-3,6-7,9-10,16H,4-5,8,11-14H2,(H,21,24)/t16-/m1/s1
InChIKeyWPHLULKIVXOEQL-MRXNPFEDSA-N
MW349.44 g/mol
LogP3.51
Rot. Bonds5

About 3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 95977921) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID95977921
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(C2(CNc3ccc4nnc([C@H]5CCCO5)n4n3)CCC2)cc1
InChIInChI=1S/C20H23N5O/c1-2-6-15(7-3-1)20(11-5-12-20)14-21-17-9-10-18-22-23-19(25(18)24-17)16-8-4-13-26-16/h1-3,6-7,9-10,16H,4-5,8,11-14H2,(H,21,24)/t16-/m1/s1
InChIKeyWPHLULKIVXOEQL-MRXNPFEDSA-N
XLogP3.51
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 56827185
3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 133434229
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 60570241
3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47983521
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 138999432
[1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine
CID 114353778
5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
CID 47018135
1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 134006680
N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133395316
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47070615
3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133458949
N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47983075

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 95977921) is 3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1ccc(C2(CNc3ccc4nnc([C@H]5CCCO5)n4n3)CCC2)cc1.
What is the InChIKey of 3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is WPHLULKIVXOEQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-6-15(7-3-1)20(11-5-12-20)14-21-17-9-10-18-22-23-19(25(18)24-17)16-8-4-13-26-16/h1-3,6-7,9-10,16H,4-5,8,11-14H2,(H,21,24)/t16-/m1/s1.
What are the key properties of 3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 349.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 95977921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).