N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine

C18H21N5O — CID 56876599

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccccc1-c1ccc(NC(C)c2cn(C)nc2C)nn1
InChIInChI=1S/C18H21N5O/c1-12(15-11-23(3)22-13(15)2)19-18-10-9-16(20-21-18)14-7-5-6-8-17(14)24-4/h5-12H,1-4H3,(H,19,21)
InChIKeyDWLJWFYHCHATLH-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.37
Rot. Bonds5

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine (PubChem CID 56876599) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine
PubChem CID56876599
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccccc1-c1ccc(NC(C)c2cn(C)nc2C)nn1
InChIInChI=1S/C18H21N5O/c1-12(15-11-23(3)22-13(15)2)19-18-10-9-16(20-21-18)14-7-5-6-8-17(14)24-4/h5-12H,1-4H3,(H,19,21)
InChIKeyDWLJWFYHCHATLH-UHFFFAOYSA-N
XLogP3.37
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine (CID 56876599) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine is COc1ccccc1-c1ccc(NC(C)c2cn(C)nc2C)nn1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine?
The InChIKey is DWLJWFYHCHATLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12(15-11-23(3)22-13(15)2)19-18-10-9-16(20-21-18)14-7-5-6-8-17(14)24-4/h5-12H,1-4H3,(H,19,21).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine has a molecular weight of 323.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 56876599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).