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

C11H15N3O3 — CID 60636998

IUPACN-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCCC1
InChIInChI=1S/C11H15N3O3/c15-9-5-6-11(17)14(13-9)7-10(16)12-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,12,16)(H,13,15)
InChIKeyIGIMXODDOJQSMS-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.40
Rot. Bonds3

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

N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 60636998) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID60636998
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCCC1
InChIInChI=1S/C11H15N3O3/c15-9-5-6-11(17)14(13-9)7-10(16)12-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,12,16)(H,13,15)
InChIKeyIGIMXODDOJQSMS-UHFFFAOYSA-N
XLogP-0.40
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Amino-1-methylbutyl)-1,2-dihydro-3,6-pyridazinedione
CID 16782849
2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione
CID 43428362
N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53498278
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide
CID 60634497
N-cyclohexyl-2-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetamide
CID 60635049
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
CID 60636501
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide
CID 60636588
N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 60636804
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide
CID 60637763
2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione
CID 61386992
2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
CID 61387032
2-(5-aminopentyl)-1H-pyridazine-3,6-dione
CID 61524801

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 60636998) is N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is IGIMXODDOJQSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9-5-6-11(17)14(13-9)7-10(16)12-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,12,16)(H,13,15).
What are the key properties of N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 237.26 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is sourced from PubChem (CID 60636998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).