6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C19H24N6 — CID 95287837

IUPAC6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC[C@H]1CN(CCCc2ccccc2)CCN1c1ccc2nncn2n1
InChIInChI=1S/C19H24N6/c1-16-14-23(11-5-8-17-6-3-2-4-7-17)12-13-24(16)19-10-9-18-21-20-15-25(18)22-19/h2-4,6-7,9-10,15-16H,5,8,11-14H2,1H3/t16-/m0/s1
InChIKeyTWDYXTMXWBYOGG-INIZCTEOSA-N
MW336.44 g/mol
LogP2.27
Rot. Bonds5

About 6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 95287837) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID95287837
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC[C@H]1CN(CCCc2ccccc2)CCN1c1ccc2nncn2n1
InChIInChI=1S/C19H24N6/c1-16-14-23(11-5-8-17-6-3-2-4-7-17)12-13-24(16)19-10-9-18-21-20-15-25(18)22-19/h2-4,6-7,9-10,15-16H,5,8,11-14H2,1H3/t16-/m0/s1
InChIKeyTWDYXTMXWBYOGG-INIZCTEOSA-N
XLogP2.27
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95319788
6-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95287786
6-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95287581
8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97094551
4,5-dimethyl-2-[[(3S)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 98761266
1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one
CID 95290928
4-phenyl-1-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
CID 154830946
N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29136292
N-(4-phenylbutan-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 42652793
2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol
CID 146081471
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine
CID 15124613

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 95287837) is 6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is C[C@H]1CN(CCCc2ccccc2)CCN1c1ccc2nncn2n1.
What is the InChIKey of 6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is TWDYXTMXWBYOGG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N6/c1-16-14-23(11-5-8-17-6-3-2-4-7-17)12-13-24(16)19-10-9-18-21-20-15-25(18)22-19/h2-4,6-7,9-10,15-16H,5,8,11-14H2,1H3/t16-/m0/s1.
What are the key properties of 6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 336.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 95287837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).