5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione

C6H8N4O3 — CID 154186624

IUPAC5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC(=NN)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O3/c1-2(10-7)3-4(11)8-6(13)9-5(3)12/h7H2,1H3,(H3,8,9,11,12,13)
InChIKeyDLDVXIKFSILPFE-UHFFFAOYSA-N
MW184.16 g/mol
LogP-1.55
Rot. Bonds1

About 5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione

5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 154186624) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID154186624
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC(=NN)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O3/c1-2(10-7)3-4(11)8-6(13)9-5(3)12/h7H2,1H3,(H3,8,9,11,12,13)
InChIKeyDLDVXIKFSILPFE-UHFFFAOYSA-N
XLogP-1.55
TPSA124.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine
CID 135625814
N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide
CID 135912944
N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide
CID 135493370
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 1385843
2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine
CID 135559000
5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 137262645
6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione
CID 67303112
6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione
CID 171982597
5-butylsulfonyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 54522737
5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2286598
6-hydroxy-2,4-dioxo-N-(2-oxo-1H-pyridin-4-yl)-1H-pyrimidine-5-carboxamide
CID 118313500
6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one
CID 135954546

Frequently Asked Questions

What is the IUPAC name of 5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione (CID 154186624) is 5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione is CC(=NN)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is DLDVXIKFSILPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-2(10-7)3-4(11)8-6(13)9-5(3)12/h7H2,1H3,(H3,8,9,11,12,13).
What are the key properties of 5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione?
5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 184.16 g/mol, XLogP of -1.55, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154186624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).