N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

C12H17N3O3 — CID 53498278

IUPACN-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1CCCC1
InChIInChI=1S/C12H17N3O3/c16-10-5-6-12(18)15(14-10)8-11(17)13-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,13,17)(H,14,16)
InChIKeyLNYUFSAOLGNXQV-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.16
Rot. Bonds4

About N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 53498278) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID53498278
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1CCCC1
InChIInChI=1S/C12H17N3O3/c16-10-5-6-12(18)15(14-10)8-11(17)13-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,13,17)(H,14,16)
InChIKeyLNYUFSAOLGNXQV-UHFFFAOYSA-N
XLogP-0.16
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 53498278) is N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is LNYUFSAOLGNXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10-5-6-12(18)15(14-10)8-11(17)13-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,13,17)(H,14,16).
What are the key properties of N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is sourced from PubChem (CID 53498278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).