N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

C11H16N4O3 — CID 106297346

IUPACN-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESNCC1(NC(=O)c2ccc(=O)[nH]n2)CCOCC1
InChIInChI=1S/C11H16N4O3/c12-7-11(3-5-18-6-4-11)13-10(17)8-1-2-9(16)15-14-8/h1-2H,3-7,12H2,(H,13,17)(H,15,16)
InChIKeyBRVSPQWCULYBPC-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.99
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 106297346) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID106297346
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESNCC1(NC(=O)c2ccc(=O)[nH]n2)CCOCC1
InChIInChI=1S/C11H16N4O3/c12-7-11(3-5-18-6-4-11)13-10(17)8-1-2-9(16)15-14-8/h1-2H,3-7,12H2,(H,13,17)(H,15,16)
InChIKeyBRVSPQWCULYBPC-UHFFFAOYSA-N
XLogP-0.99
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(bromomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106304730
N-[1-(bromomethyl)cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 114040994
N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide
CID 112735728
N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106297118
N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide
CID 114170027
N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide
CID 63888380
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297509
N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103954300
N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 106297138
N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 155819665
N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide
CID 106297158

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 106297346) is N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is NCC1(NC(=O)c2ccc(=O)[nH]n2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is BRVSPQWCULYBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-7-11(3-5-18-6-4-11)13-10(17)8-1-2-9(16)15-14-8/h1-2H,3-7,12H2,(H,13,17)(H,15,16).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 106297346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).