1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine

C9H8N6S — CID 102687063

IUPAC1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine
SMILESCc1csc2c(-n3cnc(N)n3)ncnc12
InChIInChI=1S/C9H8N6S/c1-5-2-16-7-6(5)11-3-12-8(7)15-4-13-9(10)14-15/h2-4H,1H3,(H2,10,14)
InChIKeyIZMLYINOLWKRKS-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.16
Rot. Bonds1

About 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine

1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine (PubChem CID 102687063) has the molecular formula C9H8N6S and a molecular weight of 232.27 g/mol. Its IUPAC name is 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine
PubChem CID102687063
Molecular FormulaC9H8N6S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine
SMILESCc1csc2c(-n3cnc(N)n3)ncnc12
InChIInChI=1S/C9H8N6S/c1-5-2-16-7-6(5)11-3-12-8(7)15-4-13-9(10)14-15/h2-4H,1H3,(H2,10,14)
InChIKeyIZMLYINOLWKRKS-UHFFFAOYSA-N
XLogP1.16
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrazol-3-amine
CID 102687065
N-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-amine
CID 172894816
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718970
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718992
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-4-nitropyrazole-3-carboxylic acid
CID 107347083
(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 6923426
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 102687035
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
1-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazine
CID 146460535
2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 102687009
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)ethanamine
CID 102687222

Frequently Asked Questions

What is the IUPAC name of 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine (CID 102687063) is 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine is Cc1csc2c(-n3cnc(N)n3)ncnc12.
What is the InChIKey of 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine?
The InChIKey is IZMLYINOLWKRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S/c1-5-2-16-7-6(5)11-3-12-8(7)15-4-13-9(10)14-15/h2-4H,1H3,(H2,10,14).
What are the key properties of 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine?
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine has a molecular weight of 232.27 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 102687063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).