4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one

C9H14N4O — CID 81480646

IUPAC4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCCN2)n1C1CC1
InChIInChI=1S/C9H14N4O/c14-9-12-11-8(7-2-1-5-10-7)13(9)6-3-4-6/h6-7,10H,1-5H2,(H,12,14)
InChIKeyZVWSTYBCIJPRCR-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.33
Rot. Bonds2

About 4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one

4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one (PubChem CID 81480646) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one
PubChem CID81480646
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCCN2)n1C1CC1
InChIInChI=1S/C9H14N4O/c14-9-12-11-8(7-2-1-5-10-7)13(9)6-3-4-6/h6-7,10H,1-5H2,(H,12,14)
InChIKeyZVWSTYBCIJPRCR-UHFFFAOYSA-N
XLogP0.33
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one (CID 81480646) is 4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one is O=c1[nH]nc(C2CCCN2)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one?
The InChIKey is ZVWSTYBCIJPRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9-12-11-8(7-2-1-5-10-7)13(9)6-3-4-6/h6-7,10H,1-5H2,(H,12,14).
What are the key properties of 4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one has a molecular weight of 194.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81480646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).