3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole

C10H15N3O — CID 62906734

IUPAC3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole
SMILESC1CC(c2nc(C3CC3)n[nH]2)CCO1
InChIInChI=1S/C10H15N3O/c1-2-7(1)9-11-10(13-12-9)8-3-5-14-6-4-8/h7-8H,1-6H2,(H,11,12,13)
InChIKeyWXNMYOLRBNQDGG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.58
Rot. Bonds2

About 3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole

3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole (PubChem CID 62906734) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole
PubChem CID62906734
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole
SMILESC1CC(c2nc(C3CC3)n[nH]2)CCO1
InChIInChI=1S/C10H15N3O/c1-2-7(1)9-11-10(13-12-9)8-3-5-14-6-4-8/h7-8H,1-6H2,(H,11,12,13)
InChIKeyWXNMYOLRBNQDGG-UHFFFAOYSA-N
XLogP1.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole (CID 62906734) is 3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole is C1CC(c2nc(C3CC3)n[nH]2)CCO1.
What is the InChIKey of 3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole?
The InChIKey is WXNMYOLRBNQDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-7(1)9-11-10(13-12-9)8-3-5-14-6-4-8/h7-8H,1-6H2,(H,11,12,13).
What are the key properties of 3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole?
3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole has a molecular weight of 193.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 62906734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).