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

C18H18N8OS — CID 44555150

IUPAC1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol
SMILESCc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(C3(O)CCC3)n2)n1
InChIInChI=1S/C18H18N8OS/c1-10-9-28-16(20-10)14-13-15(23-17(19)22-14)26(25-24-13)8-11-4-2-5-12(21-11)18(27)6-3-7-18/h2,4-5,9,27H,3,6-8H2,1H3,(H2,19,22,23)
InChIKeyNNIXXMBWAIAPPE-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.05
Rot. Bonds4

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

1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol (PubChem CID 44555150) has the molecular formula C18H18N8OS and a molecular weight of 394.46 g/mol. Its IUPAC name is 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol
PubChem CID44555150
Molecular FormulaC18H18N8OS
Molecular Weight394.46 g/mol
Exact Mass394.13
IUPAC Name1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol
SMILESCc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(C3(O)CCC3)n2)n1
InChIInChI=1S/C18H18N8OS/c1-10-9-28-16(20-10)14-13-15(23-17(19)22-14)26(25-24-13)8-11-4-2-5-12(21-11)18(27)6-3-7-18/h2,4-5,9,27H,3,6-8H2,1H3,(H2,19,22,23)
InChIKeyNNIXXMBWAIAPPE-UHFFFAOYSA-N
XLogP2.05
TPSA128.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol (CID 44555150) is 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol is Cc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(C3(O)CCC3)n2)n1.
What is the InChIKey of 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is NNIXXMBWAIAPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8OS/c1-10-9-28-16(20-10)14-13-15(23-17(19)22-14)26(25-24-13)8-11-4-2-5-12(21-11)18(27)6-3-7-18/h2,4-5,9,27H,3,6-8H2,1H3,(H2,19,22,23).
What are the key properties of 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol?
1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 394.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 44555150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).