N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide

C9H13N5O2 — CID 104671942

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC/C(N)=N/O)c(C)nn1
InChIInChI=1S/C9H13N5O2/c1-5-3-7(6(2)13-12-5)9(15)11-4-8(10)14-16/h3,16H,4H2,1-2H3,(H2,10,14)(H,11,15)
InChIKeyLNXXGCURKBUEEI-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.43
Rot. Bonds3

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104671942) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104671942
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC/C(N)=N/O)c(C)nn1
InChIInChI=1S/C9H13N5O2/c1-5-3-7(6(2)13-12-5)9(15)11-4-8(10)14-16/h3,16H,4H2,1-2H3,(H2,10,14)(H,11,15)
InChIKeyLNXXGCURKBUEEI-UHFFFAOYSA-N
XLogP-0.43
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 114152443
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104672038
N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77042461
N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671449
N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 107158781
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 112548491
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 104669910
3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide
CID 115877392
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113156
N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide
CID 76948126
N-[[3-(chloromethyl)phenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672627
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671945

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide (CID 104671942) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NC/C(N)=N/O)c(C)nn1.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is LNXXGCURKBUEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-5-3-7(6(2)13-12-5)9(15)11-4-8(10)14-16/h3,16H,4H2,1-2H3,(H2,10,14)(H,11,15).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104671942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).