4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione

C10H12N4O2 — CID 107409814

IUPAC4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione
SMILESCNCc1cccc(-n2c(=O)[nH][nH]c2=O)c1
InChIInChI=1S/C10H12N4O2/c1-11-6-7-3-2-4-8(5-7)14-9(15)12-13-10(14)16/h2-5,11H,6H2,1H3,(H,12,15)(H,13,16)
InChIKeyRAQOZPNJQOGTCV-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.43
Rot. Bonds3

About 4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione

4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 107409814) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione
PubChem CID107409814
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione
SMILESCNCc1cccc(-n2c(=O)[nH][nH]c2=O)c1
InChIInChI=1S/C10H12N4O2/c1-11-6-7-3-2-4-8(5-7)14-9(15)12-13-10(14)16/h2-5,11H,6H2,1H3,(H,12,15)(H,13,16)
InChIKeyRAQOZPNJQOGTCV-UHFFFAOYSA-N
XLogP-0.43
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(propylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione
CID 107409816
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889
3-(3,5-dioxo-1,2,4-triazolidin-4-yl)benzonitrile
CID 71417733
1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine
CID 79677029
1-[3-(methylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696359
3-(methylaminomethyl)benzaldehyde
CID 20724862
1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 64782726
1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide
CID 172688184
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea
CID 23563356

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione (CID 107409814) is 4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione is CNCc1cccc(-n2c(=O)[nH][nH]c2=O)c1.
What is the InChIKey of 4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is RAQOZPNJQOGTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-11-6-7-3-2-4-8(5-7)14-9(15)12-13-10(14)16/h2-5,11H,6H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione?
4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 220.23 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).