2,3-dihydro-1H-triazin-4-one

C3H5N3O — CID 67224334

IUPAC2,3-dihydro-1H-triazin-4-one
SMILESO=C1C=CNNN1
InChIInChI=1S/C3H5N3O/c7-3-1-2-4-6-5-3/h1-2,4,6H,(H,5,7)
InChIKeyCBHJGZXYRXNQEZ-UHFFFAOYSA-N
MW99.09 g/mol
LogP-1.36
Rot. Bonds

About 2,3-dihydro-1H-triazin-4-one

2,3-dihydro-1H-triazin-4-one (PubChem CID 67224334) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is 2,3-dihydro-1H-triazin-4-one.

Molecular Properties

Compound Name2,3-dihydro-1H-triazin-4-one
PubChem CID67224334
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name2,3-dihydro-1H-triazin-4-one
SMILESO=C1C=CNNN1
InChIInChI=1S/C3H5N3O/c7-3-1-2-4-6-5-3/h1-2,4,6H,(H,5,7)
InChIKeyCBHJGZXYRXNQEZ-UHFFFAOYSA-N
XLogP-1.36
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-triazin-4-one?
The IUPAC name of 2,3-dihydro-1H-triazin-4-one (CID 67224334) is 2,3-dihydro-1H-triazin-4-one.
What is the SMILES notation for 2,3-dihydro-1H-triazin-4-one?
The canonical SMILES for 2,3-dihydro-1H-triazin-4-one is O=C1C=CNNN1.
What is the InChIKey of 2,3-dihydro-1H-triazin-4-one?
The InChIKey is CBHJGZXYRXNQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c7-3-1-2-4-6-5-3/h1-2,4,6H,(H,5,7).
What are the key properties of 2,3-dihydro-1H-triazin-4-one?
2,3-dihydro-1H-triazin-4-one has a molecular weight of 99.09 g/mol, XLogP of -1.36, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-triazin-4-one is sourced from PubChem (CID 67224334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).