3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

C12H14N6OS2 — CID 103334802

IUPAC3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
SMILESCCNc1nc(Sc2n[nH]c(=O)n2C)c2cc(C)sc2n1
InChIInChI=1S/C12H14N6OS2/c1-4-13-10-14-8-7(5-6(2)20-8)9(15-10)21-12-17-16-11(19)18(12)3/h5H,4H2,1-3H3,(H,16,19)(H,13,14,15)
InChIKeyQGOQCQCVRAKBCJ-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.00
Rot. Bonds4

About 3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 103334802) has the molecular formula C12H14N6OS2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID103334802
Molecular FormulaC12H14N6OS2
Molecular Weight322.42 g/mol
Exact Mass322.07
IUPAC Name3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
SMILESCCNc1nc(Sc2n[nH]c(=O)n2C)c2cc(C)sc2n1
InChIInChI=1S/C12H14N6OS2/c1-4-13-10-14-8-7(5-6(2)20-8)9(15-10)21-12-17-16-11(19)18(12)3/h5H,4H2,1-3H3,(H,16,19)(H,13,14,15)
InChIKeyQGOQCQCVRAKBCJ-UHFFFAOYSA-N
XLogP2.00
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80882976
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334889
N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103333961
N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335231
3-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 114566815
N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103335001
6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103333877
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102761476
4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334576
3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80892539
3-[2-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80892604
3-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80891867

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one (CID 103334802) is 3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one is CCNc1nc(Sc2n[nH]c(=O)n2C)c2cc(C)sc2n1.
What is the InChIKey of 3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is QGOQCQCVRAKBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS2/c1-4-13-10-14-8-7(5-6(2)20-8)9(15-10)21-12-17-16-11(19)18(12)3/h5H,4H2,1-3H3,(H,16,19)(H,13,14,15).
What are the key properties of 3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 322.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 103334802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).