[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C23H22N8O — CID 121060077

IUPAC[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCc1ccccc1-c1ccc(N2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)nn1
InChIInChI=1S/C23H22N8O/c1-17-5-2-3-8-20(17)21-9-10-22(26-25-21)29-11-13-30(14-12-29)23(32)18-6-4-7-19(15-18)31-16-24-27-28-31/h2-10,15-16H,11-14H2,1H3
InChIKeyITBHNYVXLLLMHG-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.39
Rot. Bonds4

About [4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 121060077) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is [4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID121060077
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCc1ccccc1-c1ccc(N2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)nn1
InChIInChI=1S/C23H22N8O/c1-17-5-2-3-8-20(17)21-9-10-22(26-25-21)29-11-13-30(14-12-29)23(32)18-6-4-7-19(15-18)31-16-24-27-28-31/h2-10,15-16H,11-14H2,1H3
InChIKeyITBHNYVXLLLMHG-UHFFFAOYSA-N
XLogP2.39
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122332371
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121060031
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122348210
3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 121060100
(7-phenyl-1,4-thiazepan-4-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 90629300
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
(3,4-dimethylphenyl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058149
6-methyl-3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060045
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 32573936
(4-benzylsulfonylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 9298725
3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
CID 121060067

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 121060077) is [4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is Cc1ccccc1-c1ccc(N2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)nn1.
What is the InChIKey of [4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is ITBHNYVXLLLMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-17-5-2-3-8-20(17)21-9-10-22(26-25-21)29-11-13-30(14-12-29)23(32)18-6-4-7-19(15-18)31-16-24-27-28-31/h2-10,15-16H,11-14H2,1H3.
What are the key properties of [4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 426.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 121060077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).