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

C11H17N5O3 — CID 108887355

IUPAC4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)N1CCN(CCO)CC1
InChIInChI=1S/C11H17N5O3/c17-8-7-15-3-5-16(6-4-15)11(19)12-9-1-2-10(18)14-13-9/h1-2,17H,3-8H2,(H,14,18)(H,12,13,19)
InChIKeyZLEIWEXJHQJLDE-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.09
Rot. Bonds3

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

4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 108887355) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
PubChem CID108887355
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)N1CCN(CCO)CC1
InChIInChI=1S/C11H17N5O3/c17-8-7-15-3-5-16(6-4-15)11(19)12-9-1-2-10(18)14-13-9/h1-2,17H,3-8H2,(H,14,18)(H,12,13,19)
InChIKeyZLEIWEXJHQJLDE-UHFFFAOYSA-N
XLogP-1.09
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Hydroxyethyl)-N'-(6-oxo-1,6-dihydropyridazin-3-yl)urea
CID 13157694
N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 108887200
2,6-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)morpholine-4-carboxamide
CID 108887229
4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 108887257
N-(6-oxo-1H-pyridazin-3-yl)morpholine-4-carboxamide
CID 108887264
1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887266
4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 108887312
1-(2-morpholin-4-ylethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887315
4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 108887317
1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea
CID 108887318
1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887322
1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887374

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (CID 108887355) is 4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is O=C(Nc1ccc(=O)[nH]n1)N1CCN(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is ZLEIWEXJHQJLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c17-8-7-15-3-5-16(6-4-15)11(19)12-9-1-2-10(18)14-13-9/h1-2,17H,3-8H2,(H,14,18)(H,12,13,19).
What are the key properties of 4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108887355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).