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

C4H8N4O — CID 45078795

IUPAC4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one
SMILESCC1CN(N)C(=O)N=N1
InChIInChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h3H,2,5H2,1H3
InChIKeyVHBHLLKFYUXYOK-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.14
Rot. Bonds

About 4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one

4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one (PubChem CID 45078795) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one.

Molecular Properties

Compound Name4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one
PubChem CID45078795
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one
SMILESCC1CN(N)C(=O)N=N1
InChIInChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h3H,2,5H2,1H3
InChIKeyVHBHLLKFYUXYOK-UHFFFAOYSA-N
XLogP0.14
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(methylamino)-3H-1,2,4-triazol-5-one
CID 172777142
6-amino-2,4-dimethyl-2,3-dihydropyrazin-5-one
CID 141299460
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-1-methylpyrazol-3-amine
CID 60814514
4-amino-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one
CID 7846530
1-amino-3,5-dimethylpiperidine-2,6-dione
CID 122522116
3-methyl-4-phenyl-3H-1,2,4-triazol-5-one
CID 86255642
1,4-dimethyl-4,5-dihydroimidazol-2-amine
CID 154143742
2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine
CID 21445275
4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one
CID 67715400
(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine
CID 103931384
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine
CID 104961561
(3aR,6aR)-5-amino-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129497775

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one?
The IUPAC name of 4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one (CID 45078795) is 4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one.
What is the SMILES notation for 4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one?
The canonical SMILES for 4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one is CC1CN(N)C(=O)N=N1.
What is the InChIKey of 4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one?
The InChIKey is VHBHLLKFYUXYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h3H,2,5H2,1H3.
What are the key properties of 4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one?
4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one has a molecular weight of 128.13 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one is sourced from PubChem (CID 45078795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).