N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide

C7H10N4O2 — CID 137400053

IUPACN-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide
SMILESCNC(=O)c1cc(=O)[nH]nc1NC
InChIInChI=1S/C7H10N4O2/c1-8-6-4(7(13)9-2)3-5(12)10-11-6/h3H,1-2H3,(H,8,11)(H,9,13)(H,10,12)
InChIKeyLIGABXQHCVBYMK-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.83
Rot. Bonds2

About N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide

N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide (PubChem CID 137400053) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide
PubChem CID137400053
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC NameN-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide
SMILESCNC(=O)c1cc(=O)[nH]nc1NC
InChIInChI=1S/C7H10N4O2/c1-8-6-4(7(13)9-2)3-5(12)10-11-6/h3H,1-2H3,(H,8,11)(H,9,13)(H,10,12)
InChIKeyLIGABXQHCVBYMK-UHFFFAOYSA-N
XLogP-0.83
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide?
The IUPAC name of N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide (CID 137400053) is N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide.
What is the SMILES notation for N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide?
The canonical SMILES for N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide is CNC(=O)c1cc(=O)[nH]nc1NC.
What is the InChIKey of N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide?
The InChIKey is LIGABXQHCVBYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-8-6-4(7(13)9-2)3-5(12)10-11-6/h3H,1-2H3,(H,8,11)(H,9,13)(H,10,12).
What are the key properties of N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide?
N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide has a molecular weight of 182.18 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide is sourced from PubChem (CID 137400053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).