4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol

C8H14N4O2 — CID 130758123

IUPAC4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol
SMILESCn1ncc(CNC2COCC2O)n1
InChIInChI=1S/C8H14N4O2/c1-12-10-3-6(11-12)2-9-7-4-14-5-8(7)13/h3,7-9,13H,2,4-5H2,1H3
InChIKeyWRFUWBGHIXUVJY-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.34
Rot. Bonds3

About 4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol

4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol (PubChem CID 130758123) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol
PubChem CID130758123
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol
SMILESCn1ncc(CNC2COCC2O)n1
InChIInChI=1S/C8H14N4O2/c1-12-10-3-6(11-12)2-9-7-4-14-5-8(7)13/h3,7-9,13H,2,4-5H2,1H3
InChIKeyWRFUWBGHIXUVJY-UHFFFAOYSA-N
XLogP-1.34
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol?
The IUPAC name of 4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol (CID 130758123) is 4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol.
What is the SMILES notation for 4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol?
The canonical SMILES for 4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol is Cn1ncc(CNC2COCC2O)n1.
What is the InChIKey of 4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol?
The InChIKey is WRFUWBGHIXUVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-12-10-3-6(11-12)2-9-7-4-14-5-8(7)13/h3,7-9,13H,2,4-5H2,1H3.
What are the key properties of 4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol?
4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol has a molecular weight of 198.23 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol is sourced from PubChem (CID 130758123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).