2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione

C15H21N5O2S — CID 25498127

IUPAC2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC[C@@H](c2cccs2)N2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H21N5O2S/c1-18-14(21)13(17-19(2)15(18)22)16-10-11(12-6-5-9-23-12)20-7-3-4-8-20/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyKGWYTPOQKFGHBN-NSHDSACASA-N
MW335.43 g/mol
LogP0.79
Rot. Bonds5

About 2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione (PubChem CID 25498127) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione
PubChem CID25498127
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC[C@@H](c2cccs2)N2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H21N5O2S/c1-18-14(21)13(17-19(2)15(18)22)16-10-11(12-6-5-9-23-12)20-7-3-4-8-20/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyKGWYTPOQKFGHBN-NSHDSACASA-N
XLogP0.79
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

1-[2-(2-Thiophen-2-ylpyrrolidin-1-yl)propanoyl]imidazolidin-2-one
CID 16295067
2-(4-ethyl-5-oxo-3-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-(3-thienylmethyl)acetamide
CID 70733954
2-[7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl]-N-cyclopentyl-N-(2-thienylmethyl)acetamide
CID 91922750
2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
CID 134796572
1-cyclohexyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
CID 134796918
(2S)-N-(ethylcarbamoyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 26606086
1-[2-[Cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 34409215
1-[2-[(3-Methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one
CID 47073504
1-[2-[(5-Methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one
CID 47073514
1-[2-[Methyl(1-thiophen-2-ylethyl)amino]acetyl]imidazolidin-2-one
CID 47126748
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 75391003
N-methyl-2-[[N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111499910

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione (CID 25498127) is 2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione is Cn1nc(NC[C@@H](c2cccs2)N2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione?
The InChIKey is KGWYTPOQKFGHBN-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-18-14(21)13(17-19(2)15(18)22)16-10-11(12-6-5-9-23-12)20-7-3-4-8-20/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione has a molecular weight of 335.43 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 25498127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).