4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione

C7H14N4O2 — CID 107409373

IUPAC4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione
SMILESCCC(CCN)n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H14N4O2/c1-2-5(3-4-8)11-6(12)9-10-7(11)13/h5H,2-4,8H2,1H3,(H,9,12)(H,10,13)
InChIKeyMUSHRYIWOFSROP-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.84
Rot. Bonds4

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

4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione (PubChem CID 107409373) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione
PubChem CID107409373
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione
SMILESCCC(CCN)n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H14N4O2/c1-2-5(3-4-8)11-6(12)9-10-7(11)13/h5H,2-4,8H2,1H3,(H,9,12)(H,10,13)
InChIKeyMUSHRYIWOFSROP-UHFFFAOYSA-N
XLogP-0.84
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione (CID 107409373) is 4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione is CCC(CCN)n1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is MUSHRYIWOFSROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-2-5(3-4-8)11-6(12)9-10-7(11)13/h5H,2-4,8H2,1H3,(H,9,12)(H,10,13).
What are the key properties of 4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione?
4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 186.21 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-3-yl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).