3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide

C6H9N5O3 — CID 597792

IUPAC3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide
SMILESNNC(=O)CCc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N5O3/c7-9-4(12)2-1-3-5(13)8-6(14)11-10-3/h1-2,7H2,(H,9,12)(H2,8,11,13,14)
InChIKeyKNFUIGJWAGGIPP-UHFFFAOYSA-N
MW199.17 g/mol
LogP-2.62
Rot. Bonds3

About 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide

3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide (PubChem CID 597792) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide
PubChem CID597792
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide
SMILESNNC(=O)CCc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N5O3/c7-9-4(12)2-1-3-5(13)8-6(14)11-10-3/h1-2,7H2,(H,9,12)(H2,8,11,13,14)
InChIKeyKNFUIGJWAGGIPP-UHFFFAOYSA-N
XLogP-2.62
TPSA133.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-2.62
H-Bond Donors ≤ 54
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 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide?
The IUPAC name of 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide (CID 597792) is 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide.
What is the SMILES notation for 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide?
The canonical SMILES for 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide is NNC(=O)CCc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide?
The InChIKey is KNFUIGJWAGGIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c7-9-4(12)2-1-3-5(13)8-6(14)11-10-3/h1-2,7H2,(H,9,12)(H2,8,11,13,14).
What are the key properties of 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide?
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide has a molecular weight of 199.17 g/mol, XLogP of -2.62, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide is sourced from PubChem (CID 597792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).