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

C10H17N3O — CID 62906576

IUPAC3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(C2CCOCC2)n[nH]1
InChIInChI=1S/C10H17N3O/c1-2-3-9-11-10(13-12-9)8-4-6-14-7-5-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyYLMPAHPSHRIMKX-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.65
Rot. Bonds3

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

3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole (PubChem CID 62906576) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole
PubChem CID62906576
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(C2CCOCC2)n[nH]1
InChIInChI=1S/C10H17N3O/c1-2-3-9-11-10(13-12-9)8-4-6-14-7-5-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyYLMPAHPSHRIMKX-UHFFFAOYSA-N
XLogP1.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole?
The IUPAC name of 3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole (CID 62906576) is 3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole is CCCc1nc(C2CCOCC2)n[nH]1.
What is the InChIKey of 3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole?
The InChIKey is YLMPAHPSHRIMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-9-11-10(13-12-9)8-4-6-14-7-5-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole?
3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole is sourced from PubChem (CID 62906576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).