N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C10H10N6S — CID 113374878

IUPACN-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1cn(CCNc2ncnc3sccc23)nn1
InChIInChI=1S/C10H10N6S/c1-6-17-10-8(1)9(12-7-13-10)11-2-4-16-5-3-14-15-16/h1,3,5-7H,2,4H2,(H,11,12,13)
InChIKeyWKMROWRQBGBAOE-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.39
Rot. Bonds4

About N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 113374878) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID113374878
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC NameN-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1cn(CCNc2ncnc3sccc23)nn1
InChIInChI=1S/C10H10N6S/c1-6-17-10-8(1)9(12-7-13-10)11-2-4-16-5-3-14-15-16/h1,3,5-7H,2,4H2,(H,11,12,13)
InChIKeyWKMROWRQBGBAOE-UHFFFAOYSA-N
XLogP1.39
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 113374878) is N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is c1cn(CCNc2ncnc3sccc23)nn1.
What is the InChIKey of N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WKMROWRQBGBAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-6-17-10-8(1)9(12-7-13-10)11-2-4-16-5-3-14-15-16/h1,3,5-7H,2,4H2,(H,11,12,13).
What are the key properties of N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 246.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 113374878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).