2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

C14H16N10O — CID 72719893

IUPAC2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(Cn1cncn1)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C14H16N10O/c25-14(7-23-10-15-8-17-23)22-5-3-21(4-6-22)12-1-2-13(20-19-12)24-11-16-9-18-24/h1-2,8-11H,3-7H2
InChIKeyUCBVYBLXPIWNFU-UHFFFAOYSA-N
MW340.35 g/mol
LogP-1.00
Rot. Bonds4

About 2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 72719893) has the molecular formula C14H16N10O and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID72719893
Molecular FormulaC14H16N10O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(Cn1cncn1)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C14H16N10O/c25-14(7-23-10-15-8-17-23)22-5-3-21(4-6-22)12-1-2-13(20-19-12)24-11-16-9-18-24/h1-2,8-11H,3-7H2
InChIKeyUCBVYBLXPIWNFU-UHFFFAOYSA-N
XLogP-1.00
TPSA110.75 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122336175
1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122336760
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 119105948
1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 121146045
2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 71811000
2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121145945
phenyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145824
6-(4-fluorophenyl)-2-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 121146070
2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one
CID 121145999
pyridin-3-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719875
1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146117
1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122344533

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 72719893) is 2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is O=C(Cn1cncn1)N1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is UCBVYBLXPIWNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N10O/c25-14(7-23-10-15-8-17-23)22-5-3-21(4-6-22)12-1-2-13(20-19-12)24-11-16-9-18-24/h1-2,8-11H,3-7H2.
What are the key properties of 2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 340.35 g/mol, XLogP of -1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 72719893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).