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

C10H12N4O2 — CID 107409368

IUPAC4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione
SMILESCc1ccc(CN)cc1-n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-6-2-3-7(5-11)4-8(6)14-9(15)12-13-10(14)16/h2-4H,5,11H2,1H3,(H,12,15)(H,13,16)
InChIKeyATKANILMRUWJAK-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.38
Rot. Bonds2

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

4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 107409368) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione
PubChem CID107409368
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione
SMILESCc1ccc(CN)cc1-n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-6-2-3-7(5-11)4-8(6)14-9(15)12-13-10(14)16/h2-4H,5,11H2,1H3,(H,12,15)(H,13,16)
InChIKeyATKANILMRUWJAK-UHFFFAOYSA-N
XLogP-0.38
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-methyl-3-(triazol-2-yl)phenyl]methanamine
CID 84661540
[3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine
CID 79687008
2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione
CID 62103760
1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide
CID 105406365
(3-tert-butyl-4-methylphenyl)methanamine
CID 59108911
5-(aminomethyl)-2-methylisoindole-1,3-dione
CID 82404123
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
CID 63172505
6-(aminomethyl)-3-methyl-1H-benzimidazol-2-one
CID 65037640
4-(aminomethyl)-2-methylaniline
CID 18727732
(4-methyl-3-nitrophenyl)methanamine
CID 18468134
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one
CID 102663284
[4-methyl-3-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 105406132

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione (CID 107409368) is 4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione is Cc1ccc(CN)cc1-n1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is ATKANILMRUWJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-2-3-7(5-11)4-8(6)14-9(15)12-13-10(14)16/h2-4H,5,11H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione?
4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 220.23 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).