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

C17H18N8OS — CID 164855162

IUPAC2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCc1nsc2nc(N)nc(-c3cn(Cc4cccc(C(C)(C)O)n4)nn3)c12
InChIInChI=1S/C17H18N8OS/c1-9-13-14(20-16(18)21-15(13)27-23-9)11-8-25(24-22-11)7-10-5-4-6-12(19-10)17(2,3)26/h4-6,8,26H,7H2,1-3H3,(H2,18,20,21)
InChIKeySTLWCXDDQXBUEP-UHFFFAOYSA-N
MW382.45 g/mol
LogP1.91
Rot. Bonds4

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

2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (PubChem CID 164855162) has the molecular formula C17H18N8OS and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
PubChem CID164855162
Molecular FormulaC17H18N8OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC Name2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCc1nsc2nc(N)nc(-c3cn(Cc4cccc(C(C)(C)O)n4)nn3)c12
InChIInChI=1S/C17H18N8OS/c1-9-13-14(20-16(18)21-15(13)27-23-9)11-8-25(24-22-11)7-10-5-4-6-12(19-10)17(2,3)26/h4-6,8,26H,7H2,1-3H3,(H2,18,20,21)
InChIKeySTLWCXDDQXBUEP-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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Related Compounds

2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855146
2-[6-[[4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 172812826
3-[2-amino-6-[1-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile
CID 135242275
2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855158
2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile
CID 164855097
3-[4-amino-5-fluoro-6-[1-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]-2-fluorobenzonitrile
CID 168728258
2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol
CID 44554657
3-[4-[1-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]-1H-pyrazolo[5,4-b]pyridin-6-yl]-2-methylbenzonitrile
CID 175484096
7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
CID 164855127
carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
CID 161034762
2-[6-[[4-(2-amino-7-fluoro-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-hydroxypyridin-1-ium-2-yl]propan-2-ol
CID 146436662
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methylphenyl)pyrimidin-2-amine
CID 165100654

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (CID 164855162) is 2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is Cc1nsc2nc(N)nc(-c3cn(Cc4cccc(C(C)(C)O)n4)nn3)c12.
What is the InChIKey of 2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The InChIKey is STLWCXDDQXBUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8OS/c1-9-13-14(20-16(18)21-15(13)27-23-9)11-8-25(24-22-11)7-10-5-4-6-12(19-10)17(2,3)26/h4-6,8,26H,7H2,1-3H3,(H2,18,20,21).
What are the key properties of 2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-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-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 164855162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).