N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C11H11N7 — CID 103294424

IUPACN-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1ncnc2c1cnn2-c1cccnn1
InChIInChI=1S/C11H11N7/c1-2-12-10-8-6-16-18(11(8)14-7-13-10)9-4-3-5-15-17-9/h3-7H,2H2,1H3,(H,12,13,14)
InChIKeyTYHFWEAXLGJCEU-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.04
Rot. Bonds3

About N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 103294424) has the molecular formula C11H11N7 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID103294424
Molecular FormulaC11H11N7
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1ncnc2c1cnn2-c1cccnn1
InChIInChI=1S/C11H11N7/c1-2-12-10-8-6-16-18(11(8)14-7-13-10)9-4-3-5-15-17-9/h3-7H,2H2,1H3,(H,12,13,14)
InChIKeyTYHFWEAXLGJCEU-UHFFFAOYSA-N
XLogP1.04
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022262
N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63022609
N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63023995
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017675
N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63266231
1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56730155
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 39864101
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
N-butyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3704584
N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 80725841

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 103294424) is N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCNc1ncnc2c1cnn2-c1cccnn1.
What is the InChIKey of N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is TYHFWEAXLGJCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7/c1-2-12-10-8-6-16-18(11(8)14-7-13-10)9-4-3-5-15-17-9/h3-7H,2H2,1H3,(H,12,13,14).
What are the key properties of N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 241.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103294424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).