4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one

C10H15N3O3 — CID 107410956

IUPAC4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H15N3O3/c14-9-12-11-7-13(9)8-1-3-10(4-2-8)15-5-6-16-10/h7-8H,1-6H2,(H,12,14)
InChIKeyJLBXBAUJZGRDGP-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.43
Rot. Bonds1

About 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one

4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one (PubChem CID 107410956) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one
PubChem CID107410956
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H15N3O3/c14-9-12-11-7-13(9)8-1-3-10(4-2-8)15-5-6-16-10/h7-8H,1-6H2,(H,12,14)
InChIKeyJLBXBAUJZGRDGP-UHFFFAOYSA-N
XLogP0.43
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 115394210
4-(oxan-4-yl)-1H-1,2,4-triazol-5-one
CID 156528223
1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one
CID 59541137
1-(1,4-dioxaspiro[4.5]decan-8-yl)imidazole-4,5-dicarbonitrile
CID 86799264
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-iodopyrazole
CID 134360989
1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
CID 131872684
2-chloro-7-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolo[2,3-d]pyrimidine
CID 147432522
4-(3,3-dimethylcyclopentyl)-1H-1,2,4-triazole-5-thione
CID 114548217
3-[(8-amino-1,4-dioxaspiro[4.5]decan-7-yl)sulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 64634140
3-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyridin-4-one
CID 59541861
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-ethyl-4-iodopyrazole
CID 67004423
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2-benzothiazol-3-one
CID 81428658

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one (CID 107410956) is 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1C1CCC2(CC1)OCCO2.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one?
The InChIKey is JLBXBAUJZGRDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-9-12-11-7-13(9)8-1-3-10(4-2-8)15-5-6-16-10/h7-8H,1-6H2,(H,12,14).
What are the key properties of 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one?
4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one has a molecular weight of 225.25 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).