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

C10H15N5O2 — CID 108887312

IUPAC4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H15N5O2/c1-14-4-6-15(7-5-14)10(17)11-8-2-3-9(16)13-12-8/h2-3H,4-7H2,1H3,(H,13,16)(H,11,12,17)
InChIKeyNTDZFJHODZNGAN-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.45
Rot. Bonds1

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

4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 108887312) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
PubChem CID108887312
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H15N5O2/c1-14-4-6-15(7-5-14)10(17)11-8-2-3-9(16)13-12-8/h2-3H,4-7H2,1H3,(H,13,16)(H,11,12,17)
InChIKeyNTDZFJHODZNGAN-UHFFFAOYSA-N
XLogP-0.45
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (CID 108887312) is 4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is NTDZFJHODZNGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-14-4-6-15(7-5-14)10(17)11-8-2-3-9(16)13-12-8/h2-3H,4-7H2,1H3,(H,13,16)(H,11,12,17).
What are the key properties of 4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108887312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).