4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione

C10H18N4O2 — CID 107410101

IUPAC4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione
SMILESCC1CCCC(CN)(n2c(=O)[nH][nH]c2=O)C1
InChIInChI=1S/C10H18N4O2/c1-7-3-2-4-10(5-7,6-11)14-8(15)12-13-9(14)16/h7H,2-6,11H2,1H3,(H,12,15)(H,13,16)
InChIKeyAHHZEYYTIPJVTM-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.27
Rot. Bonds2

About 4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione

4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 107410101) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione
PubChem CID107410101
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione
SMILESCC1CCCC(CN)(n2c(=O)[nH][nH]c2=O)C1
InChIInChI=1S/C10H18N4O2/c1-7-3-2-4-10(5-7,6-11)14-8(15)12-13-9(14)16/h7H,2-6,11H2,1H3,(H,12,15)(H,13,16)
InChIKeyAHHZEYYTIPJVTM-UHFFFAOYSA-N
XLogP-0.27
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione (CID 107410101) is 4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione is CC1CCCC(CN)(n2c(=O)[nH][nH]c2=O)C1.
What is the InChIKey of 4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is AHHZEYYTIPJVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7-3-2-4-10(5-7,6-11)14-8(15)12-13-9(14)16/h7H,2-6,11H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione?
4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 226.28 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107410101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).