1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane

C15H22N6 — CID 71977992

IUPAC1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane
SMILESCCN1CCCN(c2ccc(-n3ccc(C)n3)nn2)CC1
InChIInChI=1S/C15H22N6/c1-3-19-8-4-9-20(12-11-19)14-5-6-15(17-16-14)21-10-7-13(2)18-21/h5-7,10H,3-4,8-9,11-12H2,1-2H3
InChIKeyRJLVLWTUSPECCQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.50
Rot. Bonds3

About 1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane

1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane (PubChem CID 71977992) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane.

Molecular Properties

Compound Name1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane
PubChem CID71977992
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane
SMILESCCN1CCCN(c2ccc(-n3ccc(C)n3)nn2)CC1
InChIInChI=1S/C15H22N6/c1-3-19-8-4-9-20(12-11-19)14-5-6-15(17-16-14)21-10-7-13(2)18-21/h5-7,10H,3-4,8-9,11-12H2,1-2H3
InChIKeyRJLVLWTUSPECCQ-UHFFFAOYSA-N
XLogP1.50
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane?
The IUPAC name of 1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane (CID 71977992) is 1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane.
What is the SMILES notation for 1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane?
The canonical SMILES for 1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane is CCN1CCCN(c2ccc(-n3ccc(C)n3)nn2)CC1.
What is the InChIKey of 1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane?
The InChIKey is RJLVLWTUSPECCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-3-19-8-4-9-20(12-11-19)14-5-6-15(17-16-14)21-10-7-13(2)18-21/h5-7,10H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane?
1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane has a molecular weight of 286.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane is sourced from PubChem (CID 71977992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).