4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one

C8H13N3O2 — CID 106131284

IUPAC4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CC1CCC(O)C1
InChIInChI=1S/C8H13N3O2/c12-7-2-1-6(3-7)4-11-5-9-10-8(11)13/h5-7,12H,1-4H2,(H,10,13)
InChIKeyIKAAIDFAFWMCPP-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.27
Rot. Bonds2

About 4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one

4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one (PubChem CID 106131284) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one
PubChem CID106131284
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CC1CCC(O)C1
InChIInChI=1S/C8H13N3O2/c12-7-2-1-6(3-7)4-11-5-9-10-8(11)13/h5-7,12H,1-4H2,(H,10,13)
InChIKeyIKAAIDFAFWMCPP-UHFFFAOYSA-N
XLogP-0.27
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-hydroxyethyl)pentyl]-1H-1,2,4-triazol-5-one
CID 106116968
4-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazol-5-one
CID 106131694
4-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazol-5-one
CID 106131902
4-(5-hydroxy-4-methylpentyl)-1H-1,2,4-triazol-5-one
CID 106159295
4-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazol-5-one
CID 106364677
4-[(2-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one
CID 107410788
4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one
CID 107410789

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one (CID 106131284) is 4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CC1CCC(O)C1.
What is the InChIKey of 4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one?
The InChIKey is IKAAIDFAFWMCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-7-2-1-6(3-7)4-11-5-9-10-8(11)13/h5-7,12H,1-4H2,(H,10,13).
What are the key properties of 4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one?
4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one has a molecular weight of 183.21 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 106131284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).