6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine

C18H15ClN6S — CID 133281560

IUPAC6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESClc1ccc(-c2cc3ncnc(NC4CCc5ncnn5C4)c3s2)cc1
InChIInChI=1S/C18H15ClN6S/c19-12-3-1-11(2-4-12)15-7-14-17(26-15)18(22-9-20-14)24-13-5-6-16-21-10-23-25(16)8-13/h1-4,7,9-10,13H,5-6,8H2,(H,20,22,24)
InChIKeyBBDCOJWXONFIPZ-UHFFFAOYSA-N
MW382.88 g/mol
LogP4.03
Rot. Bonds3

About 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine

6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 133281560) has the molecular formula C18H15ClN6S and a molecular weight of 382.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID133281560
Molecular FormulaC18H15ClN6S
Molecular Weight382.88 g/mol
Exact Mass382.08
IUPAC Name6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESClc1ccc(-c2cc3ncnc(NC4CCc5ncnn5C4)c3s2)cc1
InChIInChI=1S/C18H15ClN6S/c19-12-3-1-11(2-4-12)15-7-14-17(26-15)18(22-9-20-14)24-13-5-6-16-21-10-23-25(16)8-13/h1-4,7,9-10,13H,5-6,8H2,(H,20,22,24)
InChIKeyBBDCOJWXONFIPZ-UHFFFAOYSA-N
XLogP4.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine (CID 133281560) is 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine is Clc1ccc(-c2cc3ncnc(NC4CCc5ncnn5C4)c3s2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is BBDCOJWXONFIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6S/c19-12-3-1-11(2-4-12)15-7-14-17(26-15)18(22-9-20-14)24-13-5-6-16-21-10-23-25(16)8-13/h1-4,7,9-10,13H,5-6,8H2,(H,20,22,24).
What are the key properties of 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine?
6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 382.88 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 133281560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).