1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide

C8H12N4O3 — CID 124708687

IUPAC1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide
SMILESCO[C@H]1COC[C@H]1n1cc(C(N)=O)nn1
InChIInChI=1S/C8H12N4O3/c1-14-7-4-15-3-6(7)12-2-5(8(9)13)10-11-12/h2,6-7H,3-4H2,1H3,(H2,9,13)/t6-,7+/m1/s1
InChIKeyANOODDRAVAWJFJ-RQJHMYQMSA-N
MW212.21 g/mol
LogP-1.04
Rot. Bonds3

About 1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide

1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide (PubChem CID 124708687) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide
PubChem CID124708687
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide
SMILESCO[C@H]1COC[C@H]1n1cc(C(N)=O)nn1
InChIInChI=1S/C8H12N4O3/c1-14-7-4-15-3-6(7)12-2-5(8(9)13)10-11-12/h2,6-7H,3-4H2,1H3,(H2,9,13)/t6-,7+/m1/s1
InChIKeyANOODDRAVAWJFJ-RQJHMYQMSA-N
XLogP-1.04
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide?
The IUPAC name of 1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide (CID 124708687) is 1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide is CO[C@H]1COC[C@H]1n1cc(C(N)=O)nn1.
What is the InChIKey of 1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide?
The InChIKey is ANOODDRAVAWJFJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-14-7-4-15-3-6(7)12-2-5(8(9)13)10-11-12/h2,6-7H,3-4H2,1H3,(H2,9,13)/t6-,7+/m1/s1.
What are the key properties of 1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide?
1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide has a molecular weight of 212.21 g/mol, XLogP of -1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 124708687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).