N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide

C9H13N5O3 — CID 108887446

IUPACN-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H13N5O3/c1-6(15)14(5-4-10)9(17)11-7-2-3-8(16)13-12-7/h2-3H,4-5,10H2,1H3,(H,13,16)(H,11,12,17)
InChIKeyFAQPEMZVZXGNEC-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.89
Rot. Bonds3

About N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide

N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide (PubChem CID 108887446) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide
PubChem CID108887446
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC NameN-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H13N5O3/c1-6(15)14(5-4-10)9(17)11-7-2-3-8(16)13-12-7/h2-3H,4-5,10H2,1H3,(H,13,16)(H,11,12,17)
InChIKeyFAQPEMZVZXGNEC-UHFFFAOYSA-N
XLogP-0.89
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide (CID 108887446) is N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide is CC(=O)N(CCN)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide?
The InChIKey is FAQPEMZVZXGNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-6(15)14(5-4-10)9(17)11-7-2-3-8(16)13-12-7/h2-3H,4-5,10H2,1H3,(H,13,16)(H,11,12,17).
What are the key properties of N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide?
N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide has a molecular weight of 239.23 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide is sourced from PubChem (CID 108887446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).