3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione

C15H15N5O2 — CID 2998761

IUPAC3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione
SMILESCn1c(=O)c2cc(NCc3ccccc3)nnc2n(C)c1=O
InChIInChI=1S/C15H15N5O2/c1-19-13-11(14(21)20(2)15(19)22)8-12(17-18-13)16-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyVUDLNGLFJBAUNI-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.64
Rot. Bonds3

About 3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione

3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione (PubChem CID 2998761) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione.

Molecular Properties

Compound Name3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione
PubChem CID2998761
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione
SMILESCn1c(=O)c2cc(NCc3ccccc3)nnc2n(C)c1=O
InChIInChI=1S/C15H15N5O2/c1-19-13-11(14(21)20(2)15(19)22)8-12(17-18-13)16-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyVUDLNGLFJBAUNI-UHFFFAOYSA-N
XLogP0.64
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide
CID 129252288
3-Phenyl-8H-pyrimido[4,5-c]pyridazine-5,7-dione
CID 10562005
4-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]benzamide
CID 53623849
(3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
CID 56778302
3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one
CID 56778416
1-[5-[4-(4-Cyanophenyl)piperidine-1-carbonyl]pyridazin-3-yl]-3-(2-methylpropyl)urea
CID 70872774
1-Butyl-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]pyridazin-3-YL}urea
CID 11293868
1-(2-Cyclopropylethyl)-3-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]pyridazin-3-yl]urea
CID 11418995
1-[6-[4-(2,6-Difluorobenzoyl)piperazin-1-yl]pyridazin-3-yl]-3-(3-methylbutyl)urea
CID 11475977
N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide
CID 11625442
1-Pentyl-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]pyridazin-3-YL}urea
CID 16035547
1-Heptyl-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]pyridazin-3-YL}urea
CID 66849174

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione?
The IUPAC name of 3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione (CID 2998761) is 3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione.
What is the SMILES notation for 3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione?
The canonical SMILES for 3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione is Cn1c(=O)c2cc(NCc3ccccc3)nnc2n(C)c1=O.
What is the InChIKey of 3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione?
The InChIKey is VUDLNGLFJBAUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-19-13-11(14(21)20(2)15(19)22)8-12(17-18-13)16-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of 3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione?
3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione has a molecular weight of 297.32 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione is sourced from PubChem (CID 2998761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).