(4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C21H27N5O2 — CID 121053660

IUPAC(4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(NCC4CCCO4)nn3)CC2)cc1
InChIInChI=1S/C21H27N5O2/c1-16-4-6-17(7-5-16)21(27)26-12-10-25(11-13-26)20-9-8-19(23-24-20)22-15-18-3-2-14-28-18/h4-9,18H,2-3,10-15H2,1H3,(H,22,23)
InChIKeyAOSAVNIEBXERQS-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.34
Rot. Bonds5

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

(4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121053660) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121053660
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(NCC4CCCO4)nn3)CC2)cc1
InChIInChI=1S/C21H27N5O2/c1-16-4-6-17(7-5-16)21(27)26-12-10-25(11-13-26)20-9-8-19(23-24-20)22-15-18-3-2-14-28-18/h4-9,18H,2-3,10-15H2,1H3,(H,22,23)
InChIKeyAOSAVNIEBXERQS-UHFFFAOYSA-N
XLogP2.34
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121053646
(2-iodophenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053676
(4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121054018
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone
CID 109114845
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122350587
[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 122350608
(4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336998
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 7178151
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109153538
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 121053608
6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740126

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121053660) is (4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3ccc(NCC4CCCO4)nn3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is AOSAVNIEBXERQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-4-6-17(7-5-16)21(27)26-12-10-25(11-13-26)20-9-8-19(23-24-20)22-15-18-3-2-14-28-18/h4-9,18H,2-3,10-15H2,1H3,(H,22,23).
What are the key properties of (4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
(4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121053660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).