4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine

C13H15N7S — CID 103328311

IUPAC4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(N3CCn4cnnc4C3)nc(N)nc2s1
InChIInChI=1S/C13H15N7S/c1-2-8-5-9-11(16-13(14)17-12(9)21-8)19-3-4-20-7-15-18-10(20)6-19/h5,7H,2-4,6H2,1H3,(H2,14,16,17)
InChIKeyCXWXVKCOSFQLHV-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.45
Rot. Bonds2

About 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103328311) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103328311
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(N3CCn4cnnc4C3)nc(N)nc2s1
InChIInChI=1S/C13H15N7S/c1-2-8-5-9-11(16-13(14)17-12(9)21-8)19-3-4-20-7-15-18-10(20)6-19/h5,7H,2-4,6H2,1H3,(H2,14,16,17)
InChIKeyCXWXVKCOSFQLHV-UHFFFAOYSA-N
XLogP1.45
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103328315
6-ethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323837
4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103542060
6-ethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323826
6-ethyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
CID 58334420
6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324772
2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634827
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 64580439
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methoxypyridin-3-amine
CID 113286582
6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334542

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine (CID 103328311) is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(N3CCn4cnnc4C3)nc(N)nc2s1.
What is the InChIKey of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is CXWXVKCOSFQLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-2-8-5-9-11(16-13(14)17-12(9)21-8)19-3-4-20-7-15-18-10(20)6-19/h5,7H,2-4,6H2,1H3,(H2,14,16,17).
What are the key properties of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 301.38 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103328311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).