(1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine

C17H21N5O2 — CID 99982580

IUPAC(1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(OC)c(-c2ccc3nnc([C@H](N)C(C)C)n3n2)c1
InChIInChI=1S/C17H21N5O2/c1-10(2)16(18)17-20-19-15-8-6-13(21-22(15)17)12-9-11(23-3)5-7-14(12)24-4/h5-10,16H,18H2,1-4H3/t16-/m1/s1
InChIKeyPXQASURUOGRUHY-MRXNPFEDSA-N
MW327.39 g/mol
LogP2.46
Rot. Bonds5

About (1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine

(1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine (PubChem CID 99982580) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
PubChem CID99982580
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(OC)c(-c2ccc3nnc([C@H](N)C(C)C)n3n2)c1
InChIInChI=1S/C17H21N5O2/c1-10(2)16(18)17-20-19-15-8-6-13(21-22(15)17)12-9-11(23-3)5-7-14(12)24-4/h5-10,16H,18H2,1-4H3/t16-/m1/s1
InChIKeyPXQASURUOGRUHY-MRXNPFEDSA-N
XLogP2.46
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 99982506
4-methoxy-3-[3-(2-methoxy-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline
CID 57413857
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
N-(2,5-dimethoxyphenyl)-2-[[6-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 40982432
2-(2,5-dimethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-6-amine
CID 82060125
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
6-(2,5-dimethoxyphenyl)sulfanyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727431
3-(2,5-dimethoxyphenyl)-6-[4-methyl-3-[[(3S)-oxolan-3-yl]methyl]phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 70256798
2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671786
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62202296
3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 776499

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine (CID 99982580) is (1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine is COc1ccc(OC)c(-c2ccc3nnc([C@H](N)C(C)C)n3n2)c1.
What is the InChIKey of (1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine?
The InChIKey is PXQASURUOGRUHY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10(2)16(18)17-20-19-15-8-6-13(21-22(15)17)12-9-11(23-3)5-7-14(12)24-4/h5-10,16H,18H2,1-4H3/t16-/m1/s1.
What are the key properties of (1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine?
(1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine has a molecular weight of 327.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 99982580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).