[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone

C22H27N9O — CID 90601580

IUPAC[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-n3cncn3)nn2)CC1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H27N9O/c32-22(30-13-11-28(12-14-30)15-18-3-7-23-8-4-18)19-5-9-29(10-6-19)20-1-2-21(27-26-20)31-17-24-16-25-31/h1-4,7-8,16-17,19H,5-6,9-15H2
InChIKeyRSNCIXUGDXNQHZ-UHFFFAOYSA-N
MW433.52 g/mol
LogP1.01
Rot. Bonds5

About [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone

[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone (PubChem CID 90601580) has the molecular formula C22H27N9O and a molecular weight of 433.52 g/mol. Its IUPAC name is [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
PubChem CID90601580
Molecular FormulaC22H27N9O
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC Name[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-n3cncn3)nn2)CC1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H27N9O/c32-22(30-13-11-28(12-14-30)15-18-3-7-23-8-4-18)19-5-9-29(10-6-19)20-1-2-21(27-26-20)31-17-24-16-25-31/h1-4,7-8,16-17,19H,5-6,9-15H2
InChIKeyRSNCIXUGDXNQHZ-UHFFFAOYSA-N
XLogP1.01
TPSA96.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-chlorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 90601308
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
cyclohex-3-en-1-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719895
(1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145994
(4-ethylpiperazin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600260
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027865
N-(cyclopropylmethyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601619
N-benzyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601414
piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90600945
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10271980
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10180603

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone (CID 90601580) is [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone is O=C(C1CCN(c2ccc(-n3cncn3)nn2)CC1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone?
The InChIKey is RSNCIXUGDXNQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N9O/c32-22(30-13-11-28(12-14-30)15-18-3-7-23-8-4-18)19-5-9-29(10-6-19)20-1-2-21(27-26-20)31-17-24-16-25-31/h1-4,7-8,16-17,19H,5-6,9-15H2.
What are the key properties of [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone?
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone has a molecular weight of 433.52 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 90601580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).