2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol

C17H18N8OS — CID 44552755

IUPAC2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(C(C)(C)O)n2)n1
InChIInChI=1S/C17H18N8OS/c1-9-8-27-15(19-9)13-12-14(22-16(18)21-13)25(24-23-12)7-10-5-4-6-11(20-10)17(2,3)26/h4-6,8,26H,7H2,1-3H3,(H2,18,21,22)
InChIKeyYQYKENUCSZTMJE-UHFFFAOYSA-N
MW382.45 g/mol
LogP1.91
Rot. Bonds4

About 2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol

2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol (PubChem CID 44552755) has the molecular formula C17H18N8OS and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol
PubChem CID44552755
Molecular FormulaC17H18N8OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC Name2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(C(C)(C)O)n2)n1
InChIInChI=1S/C17H18N8OS/c1-9-8-27-15(19-9)13-12-14(22-16(18)21-13)25(24-23-12)7-10-5-4-6-11(20-10)17(2,3)26/h4-6,8,26H,7H2,1-3H3,(H2,18,21,22)
InChIKeyYQYKENUCSZTMJE-UHFFFAOYSA-N
XLogP1.91
TPSA128.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol (CID 44552755) is 2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol is Cc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(C(C)(C)O)n2)n1.
What is the InChIKey of 2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol?
The InChIKey is YQYKENUCSZTMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8OS/c1-9-8-27-15(19-9)13-12-14(22-16(18)21-13)25(24-23-12)7-10-5-4-6-11(20-10)17(2,3)26/h4-6,8,26H,7H2,1-3H3,(H2,18,21,22).
What are the key properties of 2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol?
2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol has a molecular weight of 382.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 44552755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).