6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C10H17N5O2 — CID 62062560

IUPAC6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCC(CN)C2)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N5O2/c1-13-9(16)8(12-14(2)10(13)17)15-4-3-7(5-11)6-15/h7H,3-6,11H2,1-2H3
InChIKeyROTJUPTVNPJDTB-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.74
Rot. Bonds2

About 6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 62062560) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID62062560
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCC(CN)C2)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N5O2/c1-13-9(16)8(12-14(2)10(13)17)15-4-3-7(5-11)6-15/h7H,3-6,11H2,1-2H3
InChIKeyROTJUPTVNPJDTB-UHFFFAOYSA-N
XLogP-1.74
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103896220
2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 104976116
2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid
CID 63905253
1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427547
6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63759493
8-[3-(aminomethyl)pyrrolidin-1-yl]-1,3-dimethyl-7-(3-methylbut-2-enyl)purine-2,6-dione
CID 57498995
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61409552
(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
CID 115492061
6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103725157
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 114779447
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106876092
[1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644812

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 62062560) is 6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2CCC(CN)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is ROTJUPTVNPJDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-13-9(16)8(12-14(2)10(13)17)15-4-3-7(5-11)6-15/h7H,3-6,11H2,1-2H3.
What are the key properties of 6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 239.28 g/mol, XLogP of -1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62062560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).