4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione

C6H9N3O3 — CID 107409973

IUPAC4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1C1(CO)CC1
InChIInChI=1S/C6H9N3O3/c10-3-6(1-2-6)9-4(11)7-8-5(9)12/h10H,1-3H2,(H,7,11)(H,8,12)
InChIKeyFETIMTTVQXWGBL-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.65
Rot. Bonds2

About 4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione

4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 107409973) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione
PubChem CID107409973
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1C1(CO)CC1
InChIInChI=1S/C6H9N3O3/c10-3-6(1-2-6)9-4(11)7-8-5(9)12/h10H,1-3H2,(H,7,11)(H,8,12)
InChIKeyFETIMTTVQXWGBL-UHFFFAOYSA-N
XLogP-1.65
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione (CID 107409973) is 4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione is O=c1[nH][nH]c(=O)n1C1(CO)CC1.
What is the InChIKey of 4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is FETIMTTVQXWGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c10-3-6(1-2-6)9-4(11)7-8-5(9)12/h10H,1-3H2,(H,7,11)(H,8,12).
What are the key properties of 4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione?
4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 171.16 g/mol, XLogP of -1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).