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

C10H15N3O — CID 63015617

IUPAC5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole
SMILESC1COCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C10H15N3O/c1-2-8(6-14-5-1)10-11-9(12-13-10)7-3-4-7/h7-8H,1-6H2,(H,11,12,13)
InChIKeyXBXNECHLVPCEFQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.58
Rot. Bonds2

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

5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole (PubChem CID 63015617) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole
PubChem CID63015617
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole
SMILESC1COCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C10H15N3O/c1-2-8(6-14-5-1)10-11-9(12-13-10)7-3-4-7/h7-8H,1-6H2,(H,11,12,13)
InChIKeyXBXNECHLVPCEFQ-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 5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole (CID 63015617) is 5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole is C1COCC(c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole?
The InChIKey is XBXNECHLVPCEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-8(6-14-5-1)10-11-9(12-13-10)7-3-4-7/h7-8H,1-6H2,(H,11,12,13).
What are the key properties of 5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole?
5-cyclopropyl-3-(oxan-3-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 5-cyclopropyl-3-(oxan-3-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 63015617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).