4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one

C6H10N6O2 — CID 130921644

IUPAC4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one
SMILESCN1CC(Nc2nnc(N)o2)C(=O)N1
InChIInChI=1S/C6H10N6O2/c1-12-2-3(4(13)11-12)8-6-10-9-5(7)14-6/h3H,2H2,1H3,(H2,7,9)(H,8,10)(H,11,13)
InChIKeyNJCTYMILAWQHGS-UHFFFAOYSA-N
MW198.19 g/mol
LogP-1.59
Rot. Bonds2

About 4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one

4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one (PubChem CID 130921644) has the molecular formula C6H10N6O2 and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one.

Molecular Properties

Compound Name4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one
PubChem CID130921644
Molecular FormulaC6H10N6O2
Molecular Weight198.19 g/mol
Exact Mass198.09
IUPAC Name4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one
SMILESCN1CC(Nc2nnc(N)o2)C(=O)N1
InChIInChI=1S/C6H10N6O2/c1-12-2-3(4(13)11-12)8-6-10-9-5(7)14-6/h3H,2H2,1H3,(H2,7,9)(H,8,10)(H,11,13)
InChIKeyNJCTYMILAWQHGS-UHFFFAOYSA-N
XLogP-1.59
TPSA109.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one
CID 131165993
1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one
CID 130933775
methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate
CID 131091908
4-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylpyrrolidin-2-one
CID 121207759
1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one
CID 130892992
2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine
CID 130909260
2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437122
2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine
CID 130993640
1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione
CID 106962572
4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 155962141
(2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide
CID 166466453
2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437400

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one?
The IUPAC name of 4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one (CID 130921644) is 4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one.
What is the SMILES notation for 4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one?
The canonical SMILES for 4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one is CN1CC(Nc2nnc(N)o2)C(=O)N1.
What is the InChIKey of 4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one?
The InChIKey is NJCTYMILAWQHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O2/c1-12-2-3(4(13)11-12)8-6-10-9-5(7)14-6/h3H,2H2,1H3,(H2,7,9)(H,8,10)(H,11,13).
What are the key properties of 4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one?
4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one has a molecular weight of 198.19 g/mol, XLogP of -1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one is sourced from PubChem (CID 130921644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).