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

C14H17N7O — CID 71810984

IUPACcyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C14H17N7O/c22-14(11-1-2-11)20-7-5-19(6-8-20)12-3-4-13(18-17-12)21-10-15-9-16-21/h3-4,9-11H,1-2,5-8H2
InChIKeyABNNFFKKLOULBZ-UHFFFAOYSA-N
MW299.34 g/mol
LogP0.12
Rot. Bonds3

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

cyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 71810984) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is cyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID71810984
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Namecyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C14H17N7O/c22-14(11-1-2-11)20-7-5-19(6-8-20)12-3-4-13(18-17-12)21-10-15-9-16-21/h3-4,9-11H,1-2,5-8H2
InChIKeyABNNFFKKLOULBZ-UHFFFAOYSA-N
XLogP0.12
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 71810984) is cyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of cyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is ABNNFFKKLOULBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c22-14(11-1-2-11)20-7-5-19(6-8-20)12-3-4-13(18-17-12)21-10-15-9-16-21/h3-4,9-11H,1-2,5-8H2.
What are the key properties of cyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 299.34 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 71810984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).