1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile

C10H6N6S — CID 133408053

IUPAC1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile
SMILESCc1cc2c(-n3cnc(C#N)n3)ncnc2s1
InChIInChI=1S/C10H6N6S/c1-6-2-7-9(12-4-13-10(7)17-6)16-5-14-8(3-11)15-16/h2,4-5H,1H3
InChIKeyHGHHRFJSRPAJRI-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.45
Rot. Bonds1

About 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile

1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile (PubChem CID 133408053) has the molecular formula C10H6N6S and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile
PubChem CID133408053
Molecular FormulaC10H6N6S
Molecular Weight242.27 g/mol
Exact Mass242.04
IUPAC Name1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile
SMILESCc1cc2c(-n3cnc(C#N)n3)ncnc2s1
InChIInChI=1S/C10H6N6S/c1-6-2-7-9(12-4-13-10(7)17-6)16-5-14-8(3-11)15-16/h2,4-5H,1H3
InChIKeyHGHHRFJSRPAJRI-UHFFFAOYSA-N
XLogP1.45
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile (CID 133408053) is 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile is Cc1cc2c(-n3cnc(C#N)n3)ncnc2s1.
What is the InChIKey of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile?
The InChIKey is HGHHRFJSRPAJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6S/c1-6-2-7-9(12-4-13-10(7)17-6)16-5-14-8(3-11)15-16/h2,4-5H,1H3.
What are the key properties of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile?
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile has a molecular weight of 242.27 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 133408053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).