1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C13H14N10O — CID 121146117

IUPAC1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ncn[nH]1)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C13H14N10O/c24-13(12-15-8-16-20-12)22-5-3-21(4-6-22)10-1-2-11(19-18-10)23-9-14-7-17-23/h1-2,7-9H,3-6H2,(H,15,16,20)
InChIKeyFUPAUSYHVFLOAF-UHFFFAOYSA-N
MW326.32 g/mol
LogP-0.86
Rot. Bonds3

About 1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121146117) has the molecular formula C13H14N10O and a molecular weight of 326.32 g/mol. Its IUPAC name is 1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121146117
Molecular FormulaC13H14N10O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ncn[nH]1)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C13H14N10O/c24-13(12-15-8-16-20-12)22-5-3-21(4-6-22)10-1-2-11(19-18-10)23-9-14-7-17-23/h1-2,7-9H,3-6H2,(H,15,16,20)
InChIKeyFUPAUSYHVFLOAF-UHFFFAOYSA-N
XLogP-0.86
TPSA121.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626672
phenyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145824
pyridin-3-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719875
2H-benzotriazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719892
(4-methoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145829
4-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 121145982
(2,4-difluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145840
1,3-benzothiazol-2-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146043
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
(4-phenoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146052
(2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71811015
2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 71811000

Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of 1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121146117) is 1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(c1ncn[nH]1)N1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of 1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is FUPAUSYHVFLOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N10O/c24-13(12-15-8-16-20-12)22-5-3-21(4-6-22)10-1-2-11(19-18-10)23-9-14-7-17-23/h1-2,7-9H,3-6H2,(H,15,16,20).
What are the key properties of 1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 326.32 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121146117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).