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

C4H6N4O — CID 23516196

IUPAC5-amino-2-methyl-1,2,4-triazin-3-one
SMILESCn1ncc(N)nc1=O
InChIInChI=1S/C4H6N4O/c1-8-4(9)7-3(5)2-6-8/h2H,1H3,(H2,5,7,9)
InChIKeyPFIOZJBSESOVGS-UHFFFAOYSA-N
MW126.12 g/mol
LogP-1.24
Rot. Bonds

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

5-amino-2-methyl-1,2,4-triazin-3-one (PubChem CID 23516196) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 5-amino-2-methyl-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-amino-2-methyl-1,2,4-triazin-3-one
PubChem CID23516196
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name5-amino-2-methyl-1,2,4-triazin-3-one
SMILESCn1ncc(N)nc1=O
InChIInChI=1S/C4H6N4O/c1-8-4(9)7-3(5)2-6-8/h2H,1H3,(H2,5,7,9)
InChIKeyPFIOZJBSESOVGS-UHFFFAOYSA-N
XLogP-1.24
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1,2,4-triazin-3-one?
The IUPAC name of 5-amino-2-methyl-1,2,4-triazin-3-one (CID 23516196) is 5-amino-2-methyl-1,2,4-triazin-3-one.
What is the SMILES notation for 5-amino-2-methyl-1,2,4-triazin-3-one?
The canonical SMILES for 5-amino-2-methyl-1,2,4-triazin-3-one is Cn1ncc(N)nc1=O.
What is the InChIKey of 5-amino-2-methyl-1,2,4-triazin-3-one?
The InChIKey is PFIOZJBSESOVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c1-8-4(9)7-3(5)2-6-8/h2H,1H3,(H2,5,7,9).
What are the key properties of 5-amino-2-methyl-1,2,4-triazin-3-one?
5-amino-2-methyl-1,2,4-triazin-3-one has a molecular weight of 126.12 g/mol, XLogP of -1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1,2,4-triazin-3-one is sourced from PubChem (CID 23516196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).