5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one

C7H12N4O — CID 116659041

IUPAC5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(N)n(C2CCC2)c1=O
InChIInChI=1S/C7H12N4O/c1-10-7(12)11(6(8)9-10)5-3-2-4-5/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyBQDDWSUYINRBBG-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.11
Rot. Bonds1

About 5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one

5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one (PubChem CID 116659041) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one
PubChem CID116659041
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(N)n(C2CCC2)c1=O
InChIInChI=1S/C7H12N4O/c1-10-7(12)11(6(8)9-10)5-3-2-4-5/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyBQDDWSUYINRBBG-UHFFFAOYSA-N
XLogP-0.11
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one
CID 116659040
4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
CID 82840726
8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione
CID 82463842
1-cyclononyl-3,5-di(cyclooctyl)-1,3,5-triazinane-2,4,6-trione
CID 148955013
6-cyclohexyl-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79296775
ethyl 4-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-4-oxobutanoate
CID 121114843
5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 82841701
5-amino-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 79006248
4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one
CID 71195153
4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one
CID 55136935
4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one
CID 121208079
N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 121115033

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one (CID 116659041) is 5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one is Cn1nc(N)n(C2CCC2)c1=O.
What is the InChIKey of 5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one?
The InChIKey is BQDDWSUYINRBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-10-7(12)11(6(8)9-10)5-3-2-4-5/h5H,2-4H2,1H3,(H2,8,9).
What are the key properties of 5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one?
5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one has a molecular weight of 168.20 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 116659041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).