1,2-dihydropyridazine-3,6-dione;N-methylmethanamine

C6H11N3O2 — CID 6455141

IUPAC1,2-dihydropyridazine-3,6-dione;N-methylmethanamine
SMILESCNC.O=c1ccc(=O)[nH][nH]1
InChIInChI=1S/C4H4N2O2.C2H7N/c7-3-1-2-4(8)6-5-3;1-3-2/h1-2H,(H,5,7)(H,6,8);3H,1-2H3
InChIKeyNFMHVAAEJHFZKV-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.10
Rot. Bonds

About 1,2-dihydropyridazine-3,6-dione;N-methylmethanamine

1,2-dihydropyridazine-3,6-dione;N-methylmethanamine (PubChem CID 6455141) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1,2-dihydropyridazine-3,6-dione;N-methylmethanamine.

Molecular Properties

Compound Name1,2-dihydropyridazine-3,6-dione;N-methylmethanamine
PubChem CID6455141
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name1,2-dihydropyridazine-3,6-dione;N-methylmethanamine
SMILESCNC.O=c1ccc(=O)[nH][nH]1
InChIInChI=1S/C4H4N2O2.C2H7N/c7-3-1-2-4(8)6-5-3;1-3-2/h1-2H,(H,5,7)(H,6,8);3H,1-2H3
InChIKeyNFMHVAAEJHFZKV-UHFFFAOYSA-N
XLogP-1.10
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridazine-3,6-dione;N-methylmethanamine?
The IUPAC name of 1,2-dihydropyridazine-3,6-dione;N-methylmethanamine (CID 6455141) is 1,2-dihydropyridazine-3,6-dione;N-methylmethanamine.
What is the SMILES notation for 1,2-dihydropyridazine-3,6-dione;N-methylmethanamine?
The canonical SMILES for 1,2-dihydropyridazine-3,6-dione;N-methylmethanamine is CNC.O=c1ccc(=O)[nH][nH]1.
What is the InChIKey of 1,2-dihydropyridazine-3,6-dione;N-methylmethanamine?
The InChIKey is NFMHVAAEJHFZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C2H7N/c7-3-1-2-4(8)6-5-3;1-3-2/h1-2H,(H,5,7)(H,6,8);3H,1-2H3.
What are the key properties of 1,2-dihydropyridazine-3,6-dione;N-methylmethanamine?
1,2-dihydropyridazine-3,6-dione;N-methylmethanamine has a molecular weight of 157.17 g/mol, XLogP of -1.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridazine-3,6-dione;N-methylmethanamine is sourced from PubChem (CID 6455141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).