2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

C13H17N5O2 — CID 103057319

IUPAC2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCCNc1cnc(Cn2[nH]c(=O)c(C)c(C)c2=O)cn1
InChIInChI=1S/C13H17N5O2/c1-4-14-11-6-15-10(5-16-11)7-18-13(20)9(3)8(2)12(19)17-18/h5-6H,4,7H2,1-3H3,(H,14,16)(H,17,19)
InChIKeyFHBXRRHVDDBGFE-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.42
Rot. Bonds4

About 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 103057319) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID103057319
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCCNc1cnc(Cn2[nH]c(=O)c(C)c(C)c2=O)cn1
InChIInChI=1S/C13H17N5O2/c1-4-14-11-6-15-10(5-16-11)7-18-13(20)9(3)8(2)12(19)17-18/h5-6H,4,7H2,1-3H3,(H,14,16)(H,17,19)
InChIKeyFHBXRRHVDDBGFE-UHFFFAOYSA-N
XLogP0.42
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione with MolForge

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Related Compounds

4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione
CID 79244748
5-ethyl-1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione
CID 103057470
5-ethyl-3-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 103057107
3-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-iodopyrimidin-4-one
CID 103057459
N-ethyl-5-(piperidin-1-ylmethyl)pyrazin-2-amine
CID 103055450
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione
CID 103057509
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione
CID 103057285
2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one
CID 103057042
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103057808
4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one
CID 103056548
5-(diethylaminomethyl)-N-ethylpyrazin-2-amine
CID 103055417
2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271650

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 103057319) is 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is CCNc1cnc(Cn2[nH]c(=O)c(C)c(C)c2=O)cn1.
What is the InChIKey of 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is FHBXRRHVDDBGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-4-14-11-6-15-10(5-16-11)7-18-13(20)9(3)8(2)12(19)17-18/h5-6H,4,7H2,1-3H3,(H,14,16)(H,17,19).
What are the key properties of 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 275.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 103057319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).