3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole

C12H21N3O — CID 176773719

IUPAC3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nc(C2CCOC2)nn1C(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)12-13-11(10-5-6-16-7-10)14-15(12)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyYPJXUZFFGJXNSC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.49
Rot. Bonds3

About 3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole

3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole (PubChem CID 176773719) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole
PubChem CID176773719
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nc(C2CCOC2)nn1C(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)12-13-11(10-5-6-16-7-10)14-15(12)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyYPJXUZFFGJXNSC-UHFFFAOYSA-N
XLogP2.49
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole?
The IUPAC name of 3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole (CID 176773719) is 3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole?
The canonical SMILES for 3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole is CC(C)c1nc(C2CCOC2)nn1C(C)C.
What is the InChIKey of 3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole?
The InChIKey is YPJXUZFFGJXNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)12-13-11(10-5-6-16-7-10)14-15(12)9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole?
3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole has a molecular weight of 223.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-1,5-di(propan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 176773719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).