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

C4H8N4O — CID 4994630

IUPAC3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one
SMILESCC1=NNC(N)NC1=O
InChIInChI=1S/C4H8N4O/c1-2-3(9)6-4(5)8-7-2/h4,8H,5H2,1H3,(H,6,9)
InChIKeyMDJJDBZDBVJNSC-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.68
Rot. Bonds

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

3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one (PubChem CID 4994630) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one
PubChem CID4994630
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one
SMILESCC1=NNC(N)NC1=O
InChIInChI=1S/C4H8N4O/c1-2-3(9)6-4(5)8-7-2/h4,8H,5H2,1H3,(H,6,9)
InChIKeyMDJJDBZDBVJNSC-UHFFFAOYSA-N
XLogP-1.68
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-3-hydrazino-6-methyl-1,2,4-triazin-5(2h)-one
CID 101425008
4-Amino-6-methyl-3-thio-3,4-dihydro-1,2,4-triazin-5(2h)-one
CID 129855836
2,6-Dimethyl-3,4-dihydro-1,2,4-triazin-5-one
CID 12868414
6-methyl-3-methylsulfanyl-3,4-dihydro-2H-1,2,4-triazin-5-one
CID 21830759
6-methyl-3-sulfanyl-3,4-dihydro-2H-1,2,4-triazin-5-one
CID 129214574
ethane;6-methyl-3-methylsulfanyl-3,4-dihydro-2H-1,2,4-triazin-5-one
CID 144213155
2,3,4,5-Tetrahydro-1,2,4-triazine-6-carboxamide
CID 149788218
N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide
CID 174110941
6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione
CID 175697431
6-methyl-3-prop-2-ynylselanyl-3,4-dihydro-2H-1,2,4-triazin-5-one
CID 10933270
4,6-Dimethyl-2,3-dihydro-1,2,4-triazin-5-one
CID 13290902
6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one
CID 135443175

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one?
The IUPAC name of 3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one (CID 4994630) is 3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one?
The canonical SMILES for 3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one is CC1=NNC(N)NC1=O.
What is the InChIKey of 3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one?
The InChIKey is MDJJDBZDBVJNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-2-3(9)6-4(5)8-7-2/h4,8H,5H2,1H3,(H,6,9).
What are the key properties of 3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one?
3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one has a molecular weight of 128.13 g/mol, XLogP of -1.68, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one is sourced from PubChem (CID 4994630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).