(3S,4R)-4-(triazol-1-yl)oxolan-3-amine

C6H10N4O — CID 124709636

IUPAC(3S,4R)-4-(triazol-1-yl)oxolan-3-amine
SMILESN[C@@H]1COC[C@@H]1n1ccnn1
InChIInChI=1S/C6H10N4O/c7-5-3-11-4-6(5)10-2-1-8-9-10/h1-2,5-6H,3-4,7H2/t5-,6+/m1/s1
InChIKeyMXZGJMZVGJMDBZ-RITPCOANSA-N
MW154.17 g/mol
LogP-0.82
Rot. Bonds1

About (3S,4R)-4-(triazol-1-yl)oxolan-3-amine

(3S,4R)-4-(triazol-1-yl)oxolan-3-amine (PubChem CID 124709636) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is (3S,4R)-4-(triazol-1-yl)oxolan-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(triazol-1-yl)oxolan-3-amine
PubChem CID124709636
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name(3S,4R)-4-(triazol-1-yl)oxolan-3-amine
SMILESN[C@@H]1COC[C@@H]1n1ccnn1
InChIInChI=1S/C6H10N4O/c7-5-3-11-4-6(5)10-2-1-8-9-10/h1-2,5-6H,3-4,7H2/t5-,6+/m1/s1
InChIKeyMXZGJMZVGJMDBZ-RITPCOANSA-N
XLogP-0.82
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(triazol-1-yl)oxolan-3-amine?
The IUPAC name of (3S,4R)-4-(triazol-1-yl)oxolan-3-amine (CID 124709636) is (3S,4R)-4-(triazol-1-yl)oxolan-3-amine.
What is the SMILES notation for (3S,4R)-4-(triazol-1-yl)oxolan-3-amine?
The canonical SMILES for (3S,4R)-4-(triazol-1-yl)oxolan-3-amine is N[C@@H]1COC[C@@H]1n1ccnn1.
What is the InChIKey of (3S,4R)-4-(triazol-1-yl)oxolan-3-amine?
The InChIKey is MXZGJMZVGJMDBZ-RITPCOANSA-N. The full InChI is InChI=1S/C6H10N4O/c7-5-3-11-4-6(5)10-2-1-8-9-10/h1-2,5-6H,3-4,7H2/t5-,6+/m1/s1.
What are the key properties of (3S,4R)-4-(triazol-1-yl)oxolan-3-amine?
(3S,4R)-4-(triazol-1-yl)oxolan-3-amine has a molecular weight of 154.17 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(triazol-1-yl)oxolan-3-amine is sourced from PubChem (CID 124709636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).