N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide

C11H18N4O2 — CID 114040760

IUPACN-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC(C)CN)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H18N4O2/c1-3-15(7-8(2)6-12)11(17)9-4-5-10(16)14-13-9/h4-5,8H,3,6-7,12H2,1-2H3,(H,14,16)
InChIKeyRLKXWDZXUCEKQI-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.17
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide

N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 114040760) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID114040760
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC(C)CN)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H18N4O2/c1-3-15(7-8(2)6-12)11(17)9-4-5-10(16)14-13-9/h4-5,8H,3,6-7,12H2,1-2H3,(H,14,16)
InChIKeyRLKXWDZXUCEKQI-UHFFFAOYSA-N
XLogP-0.17
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide (CID 114040760) is N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide is CCN(CC(C)CN)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is RLKXWDZXUCEKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-15(7-8(2)6-12)11(17)9-4-5-10(16)14-13-9/h4-5,8H,3,6-7,12H2,1-2H3,(H,14,16).
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 114040760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).