4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide

C11H18N6O2 — CID 108887317

IUPAC4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESNCCN1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H18N6O2/c12-3-4-16-5-7-17(8-6-16)11(19)13-9-1-2-10(18)15-14-9/h1-2H,3-8,12H2,(H,15,18)(H,13,14,19)
InChIKeyXBDIJGMYVNFBRP-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.12
Rot. Bonds3

About 4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide

4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 108887317) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
PubChem CID108887317
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESNCCN1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H18N6O2/c12-3-4-16-5-7-17(8-6-16)11(19)13-9-1-2-10(18)15-14-9/h1-2H,3-8,12H2,(H,15,18)(H,13,14,19)
InChIKeyXBDIJGMYVNFBRP-UHFFFAOYSA-N
XLogP-1.12
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887313
4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 108887439
1-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1,4-dicarboxamide
CID 108887466
4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887249
4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
CID 108869241
4-(2-aminoethyl)-N-(2-sulfanylphenyl)piperazine-1-carboxamide
CID 108886367
4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108867667
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
CID 108875241
4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894759
6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 116786923
4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 67313518

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (CID 108887317) is 4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is NCCN1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is XBDIJGMYVNFBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c12-3-4-16-5-7-17(8-6-16)11(19)13-9-1-2-10(18)15-14-9/h1-2H,3-8,12H2,(H,15,18)(H,13,14,19).
What are the key properties of 4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108887317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).