2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine

C14H15N5O — CID 134576961

IUPAC2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCOc1ccccc1-n1cc2cnnc(N(C)C)c2n1
InChIInChI=1S/C14H15N5O/c1-18(2)14-13-10(8-15-16-14)9-19(17-13)11-6-4-5-7-12(11)20-3/h4-9H,1-3H3
InChIKeyMCZVJLPVNVENHG-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.89
Rot. Bonds3

About 2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine

2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine (PubChem CID 134576961) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine
PubChem CID134576961
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCOc1ccccc1-n1cc2cnnc(N(C)C)c2n1
InChIInChI=1S/C14H15N5O/c1-18(2)14-13-10(8-15-16-14)9-19(17-13)11-6-4-5-7-12(11)20-3/h4-9H,1-3H3
InChIKeyMCZVJLPVNVENHG-UHFFFAOYSA-N
XLogP1.89
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine?
The IUPAC name of 2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine (CID 134576961) is 2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine is COc1ccccc1-n1cc2cnnc(N(C)C)c2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine?
The InChIKey is MCZVJLPVNVENHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-18(2)14-13-10(8-15-16-14)9-19(17-13)11-6-4-5-7-12(11)20-3/h4-9H,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine?
2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine has a molecular weight of 269.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N,N-dimethylpyrazolo[3,4-d]pyridazin-7-amine is sourced from PubChem (CID 134576961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).