4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine

C12H17N7 — CID 146042599

IUPAC4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine
SMILESCc1cnnc(N2CCN(c3ncn[nH]3)CC2)c1C
InChIInChI=1S/C12H17N7/c1-9-7-14-16-11(10(9)2)18-3-5-19(6-4-18)12-13-8-15-17-12/h7-8H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyMRAQYQBGAGITJU-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.54
Rot. Bonds2

About 4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine

4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine (PubChem CID 146042599) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine
PubChem CID146042599
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine
SMILESCc1cnnc(N2CCN(c3ncn[nH]3)CC2)c1C
InChIInChI=1S/C12H17N7/c1-9-7-14-16-11(10(9)2)18-3-5-19(6-4-18)12-13-8-15-17-12/h7-8H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyMRAQYQBGAGITJU-UHFFFAOYSA-N
XLogP0.54
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine?
The IUPAC name of 4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine (CID 146042599) is 4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine?
The canonical SMILES for 4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine is Cc1cnnc(N2CCN(c3ncn[nH]3)CC2)c1C.
What is the InChIKey of 4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine?
The InChIKey is MRAQYQBGAGITJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-9-7-14-16-11(10(9)2)18-3-5-19(6-4-18)12-13-8-15-17-12/h7-8H,3-6H2,1-2H3,(H,13,15,17).
What are the key properties of 4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine?
4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine has a molecular weight of 259.32 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 146042599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).