(2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide

C7H11N5O2 — CID 130778569

IUPAC(2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide
SMILESNc1nncn1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C7H11N5O2/c8-7-10-9-4-12(7)11-6(13)5-2-1-3-14-5/h4-5H,1-3H2,(H2,8,10)(H,11,13)/t5-/m0/s1
InChIKeyMAQZFPKWAMAMTD-YFKPBYRVSA-N
MW197.20 g/mol
LogP-0.89
Rot. Bonds2

About (2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide

(2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide (PubChem CID 130778569) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is (2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide
PubChem CID130778569
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name(2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide
SMILESNc1nncn1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C7H11N5O2/c8-7-10-9-4-12(7)11-6(13)5-2-1-3-14-5/h4-5H,1-3H2,(H2,8,10)(H,11,13)/t5-/m0/s1
InChIKeyMAQZFPKWAMAMTD-YFKPBYRVSA-N
XLogP-0.89
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide
CID 35427671
N-pyrrolidin-1-yloxolane-2-carboxamide
CID 130961682
N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide
CID 110401668
(2R)-N-piperidin-1-yloxolane-2-carboxamide
CID 28985530
(2R)-N-[4-(tetrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 40986910
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
(2R)-N-[(5-amino-1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 104856388
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 82176865
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid
CID 104855685
N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide (CID 130778569) is (2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide is Nc1nncn1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide?
The InChIKey is MAQZFPKWAMAMTD-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-7-10-9-4-12(7)11-6(13)5-2-1-3-14-5/h4-5H,1-3H2,(H2,8,10)(H,11,13)/t5-/m0/s1.
What are the key properties of (2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide?
(2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide has a molecular weight of 197.20 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 130778569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).