3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine

C22H23N7 — CID 23606914

IUPAC3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine
SMILESCc1nnc(N2CCN(c3ccccc3)CC2)c2c1nnn2Cc1ccccc1
InChIInChI=1S/C22H23N7/c1-17-20-21(29(26-24-20)16-18-8-4-2-5-9-18)22(25-23-17)28-14-12-27(13-15-28)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3
InChIKeyFOHAIHUGZGJONW-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.90
Rot. Bonds4

About 3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine

3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine (PubChem CID 23606914) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine
PubChem CID23606914
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine
SMILESCc1nnc(N2CCN(c3ccccc3)CC2)c2c1nnn2Cc1ccccc1
InChIInChI=1S/C22H23N7/c1-17-20-21(29(26-24-20)16-18-8-4-2-5-9-18)22(25-23-17)28-14-12-27(13-15-28)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3
InChIKeyFOHAIHUGZGJONW-UHFFFAOYSA-N
XLogP2.90
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-benzyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 1446155
3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine
CID 1234288
6-methyl-5-(4-phenylpiperazin-1-yl)-2H-1,2,4-triazine-3-thione
CID 23412391
methyl 4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxylate
CID 41245580
7-[4-(benzenesulfonyl)piperazin-1-yl]-3-benzyltriazolo[4,5-d]pyrimidine
CID 26844974
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine
CID 1446070
(1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 91938600
1-[4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one
CID 41245497
[1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20920285
4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735915
1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline
CID 102583421
(2S)-1-[4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 41245521

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine?
The IUPAC name of 3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine (CID 23606914) is 3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine.
What is the SMILES notation for 3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine?
The canonical SMILES for 3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine is Cc1nnc(N2CCN(c3ccccc3)CC2)c2c1nnn2Cc1ccccc1.
What is the InChIKey of 3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine?
The InChIKey is FOHAIHUGZGJONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-17-20-21(29(26-24-20)16-18-8-4-2-5-9-18)22(25-23-17)28-14-12-27(13-15-28)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3.
What are the key properties of 3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine?
3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine has a molecular weight of 385.48 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine is sourced from PubChem (CID 23606914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).