3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one

C8H13N3O2 — CID 136773867

IUPAC3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOC1(c2n[nH]c(=O)[nH]2)CCCC1
InChIInChI=1S/C8H13N3O2/c1-13-8(4-2-3-5-8)6-9-7(12)11-10-6/h2-5H2,1H3,(H2,9,10,11,12)
InChIKeyWXVCNLRMTDJXEJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.51
Rot. Bonds2

About 3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136773867) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136773867
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOC1(c2n[nH]c(=O)[nH]2)CCCC1
InChIInChI=1S/C8H13N3O2/c1-13-8(4-2-3-5-8)6-9-7(12)11-10-6/h2-5H2,1H3,(H2,9,10,11,12)
InChIKeyWXVCNLRMTDJXEJ-UHFFFAOYSA-N
XLogP0.51
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Methyloxan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136288562
3-(2-Methyloxolan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136298077
3-(1-Methoxycyclobutyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965366
3-(3-Methoxypentan-3-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017880
3-(1-Ethoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017881
3-(1-Methoxy-4-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017882
3-(1-Methoxycycloheptyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017885
3-(1-Ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017888
3-(3-Ethoxypentan-3-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017890
3-(1-Methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017899

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136773867) is 3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one is COC1(c2n[nH]c(=O)[nH]2)CCCC1.
What is the InChIKey of 3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is WXVCNLRMTDJXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-8(4-2-3-5-8)6-9-7(12)11-10-6/h2-5H2,1H3,(H2,9,10,11,12).
What are the key properties of 3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 183.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136773867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).