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

C9H15N3O — CID 61337906

IUPAC3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(C2CCOC2)n[nH]1
InChIInChI=1S/C9H15N3O/c1-2-3-8-10-9(12-11-8)7-4-5-13-6-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyOVRKBHIZALEVEL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.26
Rot. Bonds3

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

3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole (PubChem CID 61337906) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole
PubChem CID61337906
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(C2CCOC2)n[nH]1
InChIInChI=1S/C9H15N3O/c1-2-3-8-10-9(12-11-8)7-4-5-13-6-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyOVRKBHIZALEVEL-UHFFFAOYSA-N
XLogP1.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole?
The IUPAC name of 3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole (CID 61337906) is 3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole is CCCc1nc(C2CCOC2)n[nH]1.
What is the InChIKey of 3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole?
The InChIKey is OVRKBHIZALEVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-8-10-9(12-11-8)7-4-5-13-6-7/h7H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole?
3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole has a molecular weight of 181.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole is sourced from PubChem (CID 61337906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).