5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole

C10H17N3O — CID 67734820

IUPAC5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1ncnc1C1CCOCC1
InChIInChI=1S/C10H17N3O/c1-8(2)13-10(11-7-12-13)9-3-5-14-6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyDLFXZXVEBKNWCG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.75
Rot. Bonds2

About 5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole

5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole (PubChem CID 67734820) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole
PubChem CID67734820
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1ncnc1C1CCOCC1
InChIInChI=1S/C10H17N3O/c1-8(2)13-10(11-7-12-13)9-3-5-14-6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyDLFXZXVEBKNWCG-UHFFFAOYSA-N
XLogP1.75
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole (CID 67734820) is 5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole is CC(C)n1ncnc1C1CCOCC1.
What is the InChIKey of 5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole?
The InChIKey is DLFXZXVEBKNWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)13-10(11-7-12-13)9-3-5-14-6-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole?
5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 67734820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).