N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide

C10H15N5O2 — CID 113439447

IUPACN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide
SMILESCCCC(NC(=O)c1ccnnc1)/C(N)=N/O
InChIInChI=1S/C10H15N5O2/c1-2-3-8(9(11)15-17)14-10(16)7-4-5-12-13-6-7/h4-6,8,17H,2-3H2,1H3,(H2,11,15)(H,14,16)
InChIKeyJNPYTDVPOGLUJY-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.12
Rot. Bonds5

About N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide

N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide (PubChem CID 113439447) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide
PubChem CID113439447
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide
SMILESCCCC(NC(=O)c1ccnnc1)/C(N)=N/O
InChIInChI=1S/C10H15N5O2/c1-2-3-8(9(11)15-17)14-10(16)7-4-5-12-13-6-7/h4-6,8,17H,2-3H2,1H3,(H2,11,15)(H,14,16)
InChIKeyJNPYTDVPOGLUJY-UHFFFAOYSA-N
XLogP0.12
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.12
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-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide
CID 77060505
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide
CID 107705570
N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
CID 76975230
N-(4-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104668958
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide
CID 76977889
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide
CID 107356568
N-(1-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104671529
N-(1-amino-1-hydroxyiminopentan-2-yl)-2,3,4-trifluorobenzamide
CID 79754946
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 76930016
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 114039230
N-(1-bromobutan-2-yl)pyridazine-4-carboxamide
CID 104672670

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide (CID 113439447) is N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide is CCCC(NC(=O)c1ccnnc1)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide?
The InChIKey is JNPYTDVPOGLUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-3-8(9(11)15-17)14-10(16)7-4-5-12-13-6-7/h4-6,8,17H,2-3H2,1H3,(H2,11,15)(H,14,16).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide?
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 113439447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).