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

C11H18N4O2 — CID 81481906

IUPAC3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one
SMILESNC1(c2n[nH]c(=O)n2C2CCOC2)CCCC1
InChIInChI=1S/C11H18N4O2/c12-11(4-1-2-5-11)9-13-14-10(16)15(9)8-3-6-17-7-8/h8H,1-7,12H2,(H,14,16)
InChIKeyLZPVWRHWDFNVRF-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.26
Rot. Bonds2

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

3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one (PubChem CID 81481906) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one
PubChem CID81481906
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one
SMILESNC1(c2n[nH]c(=O)n2C2CCOC2)CCCC1
InChIInChI=1S/C11H18N4O2/c12-11(4-1-2-5-11)9-13-14-10(16)15(9)8-3-6-17-7-8/h8H,1-7,12H2,(H,14,16)
InChIKeyLZPVWRHWDFNVRF-UHFFFAOYSA-N
XLogP0.26
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one (CID 81481906) is 3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one is NC1(c2n[nH]c(=O)n2C2CCOC2)CCCC1.
What is the InChIKey of 3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one?
The InChIKey is LZPVWRHWDFNVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-11(4-1-2-5-11)9-13-14-10(16)15(9)8-3-6-17-7-8/h8H,1-7,12H2,(H,14,16).
What are the key properties of 3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one?
3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one has a molecular weight of 238.29 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopentyl)-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81481906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).