4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one

C10H16N4O2 — CID 81480284

IUPAC4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCCN2)n1C1CCOC1
InChIInChI=1S/C10H16N4O2/c15-10-13-12-9(8-2-1-4-11-8)14(10)7-3-5-16-6-7/h7-8,11H,1-6H2,(H,13,15)
InChIKeyWTHBTVPOBFLNIA-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.04
Rot. Bonds2

About 4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one

4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one (PubChem CID 81480284) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one
PubChem CID81480284
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCCN2)n1C1CCOC1
InChIInChI=1S/C10H16N4O2/c15-10-13-12-9(8-2-1-4-11-8)14(10)7-3-5-16-6-7/h7-8,11H,1-6H2,(H,13,15)
InChIKeyWTHBTVPOBFLNIA-UHFFFAOYSA-N
XLogP-0.04
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one (CID 81480284) is 4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one is O=c1[nH]nc(C2CCCN2)n1C1CCOC1.
What is the InChIKey of 4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one?
The InChIKey is WTHBTVPOBFLNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-10-13-12-9(8-2-1-4-11-8)14(10)7-3-5-16-6-7/h7-8,11H,1-6H2,(H,13,15).
What are the key properties of 4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one?
4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one has a molecular weight of 224.26 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81480284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).