5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione

C13H12N6O2 — CID 170786560

IUPAC5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione
SMILESCn1nc(C2CC2)c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc21
InChIInChI=1S/C13H12N6O2/c1-19-11-7(10(18-19)6-2-3-6)4-9(16-17-11)8-5-14-13(21)15-12(8)20/h4-6H,2-3H2,1H3,(H2,14,15,20,21)
InChIKeyINMQOJFTNZSMND-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.28
Rot. Bonds2

About 5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione

5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione (PubChem CID 170786560) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione
PubChem CID170786560
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione
SMILESCn1nc(C2CC2)c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc21
InChIInChI=1S/C13H12N6O2/c1-19-11-7(10(18-19)6-2-3-6)4-9(16-17-11)8-5-14-13(21)15-12(8)20/h4-6H,2-3H2,1H3,(H2,14,15,20,21)
InChIKeyINMQOJFTNZSMND-UHFFFAOYSA-N
XLogP0.28
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9269197
6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 168286295
6-cyclopropyl-3-[1-(dimethylcarbamoyl)piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801765
6-cyclopropyl-3-[1-(dimethylcarbamoyl)piperidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802441
5-[8-[(1S,2S)-2-(2,6-difluoro-4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034418
5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione
CID 163216786
6-cyclopropyl-1,3-dimethyl-N-(3-methylbutyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16621476
6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622212
6-Cyclopropyl-1-(1-cyclopropylethyl)-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 56597159
6-cyclopropyl-N-[(4-methyl-2-oxo-6-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56597430
6-Cyclopropyl-1-(1-methylethyl)-N-{[6-methyl-4-(1-methylethyl)-2-oxo-1,2-dihydro-3-pyridinyl]methyl}-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 56597560
6-cyclopropyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56597702

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione (CID 170786560) is 5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione is Cn1nc(C2CC2)c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc21.
What is the InChIKey of 5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is INMQOJFTNZSMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-19-11-7(10(18-19)6-2-3-6)4-9(16-17-11)8-5-14-13(21)15-12(8)20/h4-6H,2-3H2,1H3,(H2,14,15,20,21).
What are the key properties of 5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione?
5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 284.28 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170786560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).