N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide

C9H11N5O2S — CID 110401668

IUPACN-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide
SMILESO=C(NCc1nn2cnnc2s1)C1CCCO1
InChIInChI=1S/C9H11N5O2S/c15-8(6-2-1-3-16-6)10-4-7-13-14-5-11-12-9(14)17-7/h5-6H,1-4H2,(H,10,15)
InChIKeyLQUMVSWTFXKBLI-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.02
Rot. Bonds3

About N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide

N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide (PubChem CID 110401668) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide
PubChem CID110401668
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC NameN-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide
SMILESO=C(NCc1nn2cnnc2s1)C1CCCO1
InChIInChI=1S/C9H11N5O2S/c15-8(6-2-1-3-16-6)10-4-7-13-14-5-11-12-9(14)17-7/h5-6H,1-4H2,(H,10,15)
InChIKeyLQUMVSWTFXKBLI-UHFFFAOYSA-N
XLogP-0.02
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide
CID 110401749
N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)oxolane-2-carboxamide
CID 110872139
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110359488
N-[(1-propan-2-yltetrazol-5-yl)methyl]oxolane-2-carboxamide
CID 71688455
(2R)-N-[(5-amino-1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 104856388
(2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide
CID 130778569
(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
CID 103872325
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 47042015
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]oxolane-2-carboxamide
CID 91795525
2-[4-[(oxane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 113313868
N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 60977507

Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide (CID 110401668) is N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide is O=C(NCc1nn2cnnc2s1)C1CCCO1.
What is the InChIKey of N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide?
The InChIKey is LQUMVSWTFXKBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c15-8(6-2-1-3-16-6)10-4-7-13-14-5-11-12-9(14)17-7/h5-6H,1-4H2,(H,10,15).
What are the key properties of N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide?
N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide has a molecular weight of 253.29 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 110401668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).