N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine

C17H19N5O — CID 56876346

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine
SMILESCCn1cc(CNc2ccc(-c3ccccc3OC)nn2)cn1
InChIInChI=1S/C17H19N5O/c1-3-22-12-13(11-19-22)10-18-17-9-8-15(20-21-17)14-6-4-5-7-16(14)23-2/h4-9,11-12H,3,10H2,1-2H3,(H,18,21)
InChIKeyIADXEYTYTPXBJP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.98
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine

N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine (PubChem CID 56876346) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine
PubChem CID56876346
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine
SMILESCCn1cc(CNc2ccc(-c3ccccc3OC)nn2)cn1
InChIInChI=1S/C17H19N5O/c1-3-22-12-13(11-19-22)10-18-17-9-8-15(20-21-17)14-6-4-5-7-16(14)23-2/h4-9,11-12H,3,10H2,1-2H3,(H,18,21)
InChIKeyIADXEYTYTPXBJP-UHFFFAOYSA-N
XLogP2.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine (CID 56876346) is N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine is CCn1cc(CNc2ccc(-c3ccccc3OC)nn2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine?
The InChIKey is IADXEYTYTPXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-22-12-13(11-19-22)10-18-17-9-8-15(20-21-17)14-6-4-5-7-16(14)23-2/h4-9,11-12H,3,10H2,1-2H3,(H,18,21).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine has a molecular weight of 309.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 56876346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).