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

C10H16N4O — CID 81487766

IUPAC4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCCNC2)n1C1CC1
InChIInChI=1S/C10H16N4O/c15-10-13-12-9(14(10)8-3-4-8)7-2-1-5-11-6-7/h7-8,11H,1-6H2,(H,13,15)
InChIKeyQMRHKLIKQWPSEQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.37
Rot. Bonds2

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

4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one (PubChem CID 81487766) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one
PubChem CID81487766
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCCNC2)n1C1CC1
InChIInChI=1S/C10H16N4O/c15-10-13-12-9(14(10)8-3-4-8)7-2-1-5-11-6-7/h7-8,11H,1-6H2,(H,13,15)
InChIKeyQMRHKLIKQWPSEQ-UHFFFAOYSA-N
XLogP0.37
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one (CID 81487766) is 4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one is O=c1[nH]nc(C2CCCNC2)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one?
The InChIKey is QMRHKLIKQWPSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10-13-12-9(14(10)8-3-4-8)7-2-1-5-11-6-7/h7-8,11H,1-6H2,(H,13,15).
What are the key properties of 4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one has a molecular weight of 208.26 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81487766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).