3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine

C13H22N4O — CID 114268889

IUPAC3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine
SMILESCOc1ccc(CN2CCNC(C(C)C)C2)nn1
InChIInChI=1S/C13H22N4O/c1-10(2)12-9-17(7-6-14-12)8-11-4-5-13(18-3)16-15-11/h4-5,10,12,14H,6-9H2,1-3H3
InChIKeyHJSNOJXULNYSBG-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.92
Rot. Bonds4

About 3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine

3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine (PubChem CID 114268889) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine
PubChem CID114268889
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine
SMILESCOc1ccc(CN2CCNC(C(C)C)C2)nn1
InChIInChI=1S/C13H22N4O/c1-10(2)12-9-17(7-6-14-12)8-11-4-5-13(18-3)16-15-11/h4-5,10,12,14H,6-9H2,1-3H3
InChIKeyHJSNOJXULNYSBG-UHFFFAOYSA-N
XLogP0.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine?
The IUPAC name of 3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine (CID 114268889) is 3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine.
What is the SMILES notation for 3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine?
The canonical SMILES for 3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine is COc1ccc(CN2CCNC(C(C)C)C2)nn1.
What is the InChIKey of 3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine?
The InChIKey is HJSNOJXULNYSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)12-9-17(7-6-14-12)8-11-4-5-13(18-3)16-15-11/h4-5,10,12,14H,6-9H2,1-3H3.
What are the key properties of 3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine?
3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine has a molecular weight of 250.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine is sourced from PubChem (CID 114268889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).