4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione

C7H13N3O3 — CID 107409971

IUPAC4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione
SMILESCCC(O)CCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H13N3O3/c1-2-5(11)3-4-10-6(12)8-9-7(10)13/h5,11H,2-4H2,1H3,(H,8,12)(H,9,13)
InChIKeyBSGISGTUWGRTDE-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.97
Rot. Bonds4

About 4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione

4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 107409971) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione
PubChem CID107409971
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione
SMILESCCC(O)CCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H13N3O3/c1-2-5(11)3-4-10-6(12)8-9-7(10)13/h5,11H,2-4H2,1H3,(H,8,12)(H,9,13)
InChIKeyBSGISGTUWGRTDE-UHFFFAOYSA-N
XLogP-0.97
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione (CID 107409971) is 4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione is CCC(O)CCn1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is BSGISGTUWGRTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-2-5(11)3-4-10-6(12)8-9-7(10)13/h5,11H,2-4H2,1H3,(H,8,12)(H,9,13).
What are the key properties of 4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione?
4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 187.20 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).