1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole

C9H15N3O — CID 65165070

IUPAC1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole
SMILESc1ncn(CCCC2CCCO2)n1
InChIInChI=1S/C9H15N3O/c1(3-9-4-2-6-13-9)5-12-8-10-7-11-12/h7-9H,1-6H2
InChIKeyQXVRCQOTLAGMIN-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.24
Rot. Bonds4

About 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole

1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole (PubChem CID 65165070) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole
PubChem CID65165070
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole
SMILESc1ncn(CCCC2CCCO2)n1
InChIInChI=1S/C9H15N3O/c1(3-9-4-2-6-13-9)5-12-8-10-7-11-12/h7-9H,1-6H2
InChIKeyQXVRCQOTLAGMIN-UHFFFAOYSA-N
XLogP1.24
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole (CID 65165070) is 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole is c1ncn(CCCC2CCCO2)n1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole?
The InChIKey is QXVRCQOTLAGMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1(3-9-4-2-6-13-9)5-12-8-10-7-11-12/h7-9H,1-6H2.
What are the key properties of 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole?
1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole has a molecular weight of 181.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole is sourced from PubChem (CID 65165070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).