5-methyl-2,4-dioxopyrimidine-1-carbohydrazide

C6H8N4O3 — CID 135563820

IUPAC5-methyl-2,4-dioxopyrimidine-1-carbohydrazide
SMILESCc1cn(C(=O)NN)c(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O3/c1-3-2-10(6(13)9-7)5(12)8-4(3)11/h2H,7H2,1H3,(H,9,13)(H,8,11,12)
InChIKeyYTBNPNNTMWTDHR-UHFFFAOYSA-N
MW184.16 g/mol
LogP-1.72
Rot. Bonds

About 5-methyl-2,4-dioxopyrimidine-1-carbohydrazide

5-methyl-2,4-dioxopyrimidine-1-carbohydrazide (PubChem CID 135563820) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 5-methyl-2,4-dioxopyrimidine-1-carbohydrazide.

Molecular Properties

Compound Name5-methyl-2,4-dioxopyrimidine-1-carbohydrazide
PubChem CID135563820
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name5-methyl-2,4-dioxopyrimidine-1-carbohydrazide
SMILESCc1cn(C(=O)NN)c(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O3/c1-3-2-10(6(13)9-7)5(12)8-4(3)11/h2H,7H2,1H3,(H,9,13)(H,8,11,12)
InChIKeyYTBNPNNTMWTDHR-UHFFFAOYSA-N
XLogP-1.72
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-1.72
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-dioxopyrimidine-1-carbohydrazide?
The IUPAC name of 5-methyl-2,4-dioxopyrimidine-1-carbohydrazide (CID 135563820) is 5-methyl-2,4-dioxopyrimidine-1-carbohydrazide.
What is the SMILES notation for 5-methyl-2,4-dioxopyrimidine-1-carbohydrazide?
The canonical SMILES for 5-methyl-2,4-dioxopyrimidine-1-carbohydrazide is Cc1cn(C(=O)NN)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-2,4-dioxopyrimidine-1-carbohydrazide?
The InChIKey is YTBNPNNTMWTDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-3-2-10(6(13)9-7)5(12)8-4(3)11/h2H,7H2,1H3,(H,9,13)(H,8,11,12).
What are the key properties of 5-methyl-2,4-dioxopyrimidine-1-carbohydrazide?
5-methyl-2,4-dioxopyrimidine-1-carbohydrazide has a molecular weight of 184.16 g/mol, XLogP of -1.72, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-dioxopyrimidine-1-carbohydrazide is sourced from PubChem (CID 135563820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).