1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide

C11H14N6O — CID 80508051

IUPAC1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2nnccc2CN)n1
InChIInChI=1S/C11H14N6O/c1-16(2)11(18)9-4-6-17(15-9)10-8(7-12)3-5-13-14-10/h3-6H,7,12H2,1-2H3
InChIKeyUSQAJXTUFGAYDP-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.18
Rot. Bonds3

About 1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide

1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 80508051) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID80508051
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2nnccc2CN)n1
InChIInChI=1S/C11H14N6O/c1-16(2)11(18)9-4-6-17(15-9)10-8(7-12)3-5-13-14-10/h3-6H,7,12H2,1-2H3
InChIKeyUSQAJXTUFGAYDP-UHFFFAOYSA-N
XLogP-0.18
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide (CID 80508051) is 1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2nnccc2CN)n1.
What is the InChIKey of 1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is USQAJXTUFGAYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-16(2)11(18)9-4-6-17(15-9)10-8(7-12)3-5-13-14-10/h3-6H,7,12H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide?
1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 80508051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).