6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine

C16H16N8O2 — CID 154763876

IUPAC6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine
SMILESCc1nc(N2CCc3nnc(-c4cnn(C)c4)cc3C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H16N8O2/c1-10-15(24(25)26)7-17-16(19-10)23-4-3-13-11(9-23)5-14(21-20-13)12-6-18-22(2)8-12/h5-8H,3-4,9H2,1-2H3
InChIKeyPFHVWUICVJGJKS-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.45
Rot. Bonds3

About 6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine

6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine (PubChem CID 154763876) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine.

Molecular Properties

Compound Name6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine
PubChem CID154763876
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine
SMILESCc1nc(N2CCc3nnc(-c4cnn(C)c4)cc3C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H16N8O2/c1-10-15(24(25)26)7-17-16(19-10)23-4-3-13-11(9-23)5-14(21-20-13)12-6-18-22(2)8-12/h5-8H,3-4,9H2,1-2H3
InChIKeyPFHVWUICVJGJKS-UHFFFAOYSA-N
XLogP1.45
TPSA115.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine?
The IUPAC name of 6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine (CID 154763876) is 6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine.
What is the SMILES notation for 6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine?
The canonical SMILES for 6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine is Cc1nc(N2CCc3nnc(-c4cnn(C)c4)cc3C2)ncc1[N+](=O)[O-].
What is the InChIKey of 6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine?
The InChIKey is PFHVWUICVJGJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2/c1-10-15(24(25)26)7-17-16(19-10)23-4-3-13-11(9-23)5-14(21-20-13)12-6-18-22(2)8-12/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine?
6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine has a molecular weight of 352.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-5-nitropyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine is sourced from PubChem (CID 154763876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).