2-(2,4-dioxopyrimidin-1-yl)acetohydrazide

C6H8N4O3 — CID 43236986

IUPAC2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
SMILESNNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O3/c7-9-5(12)3-10-2-1-4(11)8-6(10)13/h1-2H,3,7H2,(H,9,12)(H,8,11,13)
InChIKeyJNLBXORJKSELDK-UHFFFAOYSA-N
MW184.16 g/mol
LogP-2.47
Rot. Bonds2

About 2-(2,4-dioxopyrimidin-1-yl)acetohydrazide

2-(2,4-dioxopyrimidin-1-yl)acetohydrazide (PubChem CID 43236986) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
PubChem CID43236986
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
SMILESNNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O3/c7-9-5(12)3-10-2-1-4(11)8-6(10)13/h1-2H,3,7H2,(H,9,12)(H,8,11,13)
InChIKeyJNLBXORJKSELDK-UHFFFAOYSA-N
XLogP-2.47
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-2.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 63812524
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 115636712
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39953760
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 119608805
2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide
CID 113264415
1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311878
(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107834517

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)acetohydrazide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)acetohydrazide (CID 43236986) is 2-(2,4-dioxopyrimidin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)acetohydrazide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)acetohydrazide is NNC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)acetohydrazide?
The InChIKey is JNLBXORJKSELDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c7-9-5(12)3-10-2-1-4(11)8-6(10)13/h1-2H,3,7H2,(H,9,12)(H,8,11,13).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)acetohydrazide?
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide has a molecular weight of 184.16 g/mol, XLogP of -2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)acetohydrazide is sourced from PubChem (CID 43236986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).