N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide

C10H15N5O2 — CID 104672040

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide
SMILESCC(C)N(C/C(N)=N/O)C(=O)c1ccnnc1
InChIInChI=1S/C10H15N5O2/c1-7(2)15(6-9(11)14-17)10(16)8-3-4-12-13-5-8/h3-5,7,17H,6H2,1-2H3,(H2,11,14)
InChIKeyUBKBWHJSIBAADN-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.07
Rot. Bonds4

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide (PubChem CID 104672040) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide
PubChem CID104672040
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide
SMILESCC(C)N(C/C(N)=N/O)C(=O)c1ccnnc1
InChIInChI=1S/C10H15N5O2/c1-7(2)15(6-9(11)14-17)10(16)8-3-4-12-13-5-8/h3-5,7,17H,6H2,1-2H3,(H2,11,14)
InChIKeyUBKBWHJSIBAADN-UHFFFAOYSA-N
XLogP0.07
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
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

2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetic acid
CID 115909768
methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate
CID 112706645
N-(2-amino-2-hydroxyiminoethyl)-4-fluoro-N-propan-2-ylbenzamide
CID 77044558
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-ylpyridazine-4-carboxamide
CID 104670412
N-(2-bromoethyl)-N-propan-2-ylpyridazine-4-carboxamide
CID 104672528
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyridazine-4-carboxamide
CID 104671971
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide
CID 105064326
N-(2-amino-2-hydroxyiminoethyl)-3-chloro-N-propan-2-ylpyridine-4-carboxamide
CID 77135187
N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 77044978
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-3-propan-2-yloxybenzamide
CID 77044882
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-bromo-3-chloro-N-propan-2-ylbenzamide
CID 81307916
N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide
CID 77056038

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide (CID 104672040) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide is CC(C)N(C/C(N)=N/O)C(=O)c1ccnnc1.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide?
The InChIKey is UBKBWHJSIBAADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-7(2)15(6-9(11)14-17)10(16)8-3-4-12-13-5-8/h3-5,7,17H,6H2,1-2H3,(H2,11,14).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide is sourced from PubChem (CID 104672040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).