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

C12H21N5O2 — CID 60855532

IUPAC6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCN1CCC(CNc2nn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C12H21N5O2/c1-4-17-6-5-9(8-17)7-13-10-11(18)15(2)12(19)16(3)14-10/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyZTZKRKNZJUSSSD-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.77
Rot. Bonds4

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

6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 60855532) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID60855532
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCN1CCC(CNc2nn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C12H21N5O2/c1-4-17-6-5-9(8-17)7-13-10-11(18)15(2)12(19)16(3)14-10/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyZTZKRKNZJUSSSD-UHFFFAOYSA-N
XLogP-0.77
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 66005848
6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63896364
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one
CID 62938803
2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
CID 115599561
6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62663587
6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 64929653
5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 55241724
5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 60855846
3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62709953
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80789254
6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80970244
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 81139026

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 60855532) is 6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCN1CCC(CNc2nn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of 6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is ZTZKRKNZJUSSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-17-6-5-9(8-17)7-13-10-11(18)15(2)12(19)16(3)14-10/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 267.33 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60855532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).