3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide

C4H6N4O2 — CID 140661943

IUPAC3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide
SMILESNC(=O)C1=NNC(=O)NC1
InChIInChI=1S/C4H6N4O2/c5-3(9)2-1-6-4(10)8-7-2/h1H2,(H2,5,9)(H2,6,8,10)
InChIKeySDYUOOWCMLNFHI-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.86
Rot. Bonds1

About 3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide

3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide (PubChem CID 140661943) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide
PubChem CID140661943
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide
SMILESNC(=O)C1=NNC(=O)NC1
InChIInChI=1S/C4H6N4O2/c5-3(9)2-1-6-4(10)8-7-2/h1H2,(H2,5,9)(H2,6,8,10)
InChIKeySDYUOOWCMLNFHI-UHFFFAOYSA-N
XLogP-1.86
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide (CID 140661943) is 3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide is NC(=O)C1=NNC(=O)NC1.
What is the InChIKey of 3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide?
The InChIKey is SDYUOOWCMLNFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-3(9)2-1-6-4(10)8-7-2/h1H2,(H2,5,9)(H2,6,8,10).
What are the key properties of 3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide?
3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide has a molecular weight of 142.12 g/mol, XLogP of -1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 140661943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).