3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H19Cl2N5O — CID 97255572

IUPAC3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESC[C@H]1C[C@H](CNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CCO1
InChIInChI=1S/C18H19Cl2N5O/c1-11-6-12(4-5-26-11)10-21-16-2-3-17-22-23-18(25(17)24-16)13-7-14(19)9-15(20)8-13/h2-3,7-9,11-12H,4-6,10H2,1H3,(H,21,24)/t11-,12+/m0/s1
InChIKeyJAWIOMALASRWHI-NWDGAFQWSA-N
MW392.29 g/mol
LogP4.33
Rot. Bonds4

About 3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 97255572) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID97255572
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESC[C@H]1C[C@H](CNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CCO1
InChIInChI=1S/C18H19Cl2N5O/c1-11-6-12(4-5-26-11)10-21-16-2-3-17-22-23-18(25(17)24-16)13-7-14(19)9-15(20)8-13/h2-3,7-9,11-12H,4-6,10H2,1H3,(H,21,24)/t11-,12+/m0/s1
InChIKeyJAWIOMALASRWHI-NWDGAFQWSA-N
XLogP4.33
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133312174
3-(3,5-dichlorophenyl)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133305149
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160951
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160952
2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide
CID 133367595
3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47983521
5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one
CID 133286083
1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one
CID 133357435
3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 123445436
3-(2-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133353323
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488984
N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-(pyrazol-1-ylmethyl)aniline
CID 97340717

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 97255572) is 3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is C[C@H]1C[C@H](CNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CCO1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is JAWIOMALASRWHI-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-11-6-12(4-5-26-11)10-21-16-2-3-17-22-23-18(25(17)24-16)13-7-14(19)9-15(20)8-13/h2-3,7-9,11-12H,4-6,10H2,1H3,(H,21,24)/t11-,12+/m0/s1.
What are the key properties of 3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 392.29 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 97255572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).