5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile

C11H13N7 — CID 103294118

IUPAC5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile
SMILESCCN(C)c1nn(-c2cccnn2)c(N)c1C#N
InChIInChI=1S/C11H13N7/c1-3-17(2)11-8(7-12)10(13)18(16-11)9-5-4-6-14-15-9/h4-6H,3,13H2,1-2H3
InChIKeyYJMISAMCPQWAGZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.57
Rot. Bonds3

About 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile

5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile (PubChem CID 103294118) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile
PubChem CID103294118
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile
SMILESCCN(C)c1nn(-c2cccnn2)c(N)c1C#N
InChIInChI=1S/C11H13N7/c1-3-17(2)11-8(7-12)10(13)18(16-11)9-5-4-6-14-15-9/h4-6H,3,13H2,1-2H3
InChIKeyYJMISAMCPQWAGZ-UHFFFAOYSA-N
XLogP0.57
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile (CID 103294118) is 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile is CCN(C)c1nn(-c2cccnn2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile?
The InChIKey is YJMISAMCPQWAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c1-3-17(2)11-8(7-12)10(13)18(16-11)9-5-4-6-14-15-9/h4-6H,3,13H2,1-2H3.
What are the key properties of 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile?
5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 103294118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).