6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one

C7H9N3OSe — CID 10933270

IUPAC6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one
SMILESC#CC[Se]C1NN=C(C)C(=O)N1
InChIInChI=1S/C7H9N3OSe/c1-3-4-12-7-8-6(11)5(2)9-10-7/h1,7,10H,4H2,2H3,(H,8,11)
InChIKeyTYZALQNQUOZKBO-UHFFFAOYSA-N
MW230.13 g/mol
LogP-0.88
Rot. Bonds2

About 6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one

6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one (PubChem CID 10933270) has the molecular formula C7H9N3OSe and a molecular weight of 230.13 g/mol. Its IUPAC name is 6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one
PubChem CID10933270
Molecular FormulaC7H9N3OSe
Molecular Weight230.13 g/mol
Exact Mass230.99
IUPAC Name6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one
SMILESC#CC[Se]C1NN=C(C)C(=O)N1
InChIInChI=1S/C7H9N3OSe/c1-3-4-12-7-8-6(11)5(2)9-10-7/h1,7,10H,4H2,2H3,(H,8,11)
InChIKeyTYZALQNQUOZKBO-UHFFFAOYSA-N
XLogP-0.88
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.13
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one
CID 4994630

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one (CID 10933270) is 6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one is C#CC[Se]C1NN=C(C)C(=O)N1.
What is the InChIKey of 6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one?
The InChIKey is TYZALQNQUOZKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OSe/c1-3-4-12-7-8-6(11)5(2)9-10-7/h1,7,10H,4H2,2H3,(H,8,11).
What are the key properties of 6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one?
6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one has a molecular weight of 230.13 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one is sourced from PubChem (CID 10933270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).