5-amino-6-methyl-1,2,4-triazinan-3-one

C4H10N4O — CID 91270035

IUPAC5-amino-6-methyl-1,2,4-triazinan-3-one
SMILESCC1NNC(=O)NC1N
InChIInChI=1S/C4H10N4O/c1-2-3(5)6-4(9)8-7-2/h2-3,7H,5H2,1H3,(H2,6,8,9)
InChIKeySQRPBEFBQUAIGT-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.52
Rot. Bonds

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

5-amino-6-methyl-1,2,4-triazinan-3-one (PubChem CID 91270035) has the molecular formula C4H10N4O and a molecular weight of 130.15 g/mol. Its IUPAC name is 5-amino-6-methyl-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name5-amino-6-methyl-1,2,4-triazinan-3-one
PubChem CID91270035
Molecular FormulaC4H10N4O
Molecular Weight130.15 g/mol
Exact Mass130.09
IUPAC Name5-amino-6-methyl-1,2,4-triazinan-3-one
SMILESCC1NNC(=O)NC1N
InChIInChI=1S/C4H10N4O/c1-2-3(5)6-4(9)8-7-2/h2-3,7H,5H2,1H3,(H2,6,8,9)
InChIKeySQRPBEFBQUAIGT-UHFFFAOYSA-N
XLogP-1.52
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one
CID 78293234
3-amino-4-methylazetidin-2-one
CID 13155286
diaziridin-3-one
CID 18008550
(5S,6S)-5,6-dimethylpiperazine-2,3-dione
CID 162361681
5,6-dihydroxy-1,2,4-triazinan-3-one
CID 55286131
4-amino-5-bromo-1,3-diazinan-2-one
CID 56624234
6-amino-7-methyl-2,4-diazabicyclo[3.1.1]heptan-3-one
CID 89029119
5-(chloromethyl)-1,2,4-triazolidin-3-one
CID 71650994
3-amino-3-(5-oxo-1,2,4-triazolidin-3-yl)propanenitrile
CID 123188925
4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one
CID 163839041
5-chloro-6-methyl-1,3-diazinane-2,4-dione
CID 45358690
4-iodo-5-methylimidazolidin-2-one
CID 147926542

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methyl-1,2,4-triazinan-3-one?
The IUPAC name of 5-amino-6-methyl-1,2,4-triazinan-3-one (CID 91270035) is 5-amino-6-methyl-1,2,4-triazinan-3-one.
What is the SMILES notation for 5-amino-6-methyl-1,2,4-triazinan-3-one?
The canonical SMILES for 5-amino-6-methyl-1,2,4-triazinan-3-one is CC1NNC(=O)NC1N.
What is the InChIKey of 5-amino-6-methyl-1,2,4-triazinan-3-one?
The InChIKey is SQRPBEFBQUAIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O/c1-2-3(5)6-4(9)8-7-2/h2-3,7H,5H2,1H3,(H2,6,8,9).
What are the key properties of 5-amino-6-methyl-1,2,4-triazinan-3-one?
5-amino-6-methyl-1,2,4-triazinan-3-one has a molecular weight of 130.15 g/mol, XLogP of -1.52, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methyl-1,2,4-triazinan-3-one is sourced from PubChem (CID 91270035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).