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

C19H19N7O2 — CID 44554482

IUPAC1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol
SMILESCc1ccc(-c2nc(N)nc3c2nnn3Cc2cccc(C3(O)CCC3)n2)o1
InChIInChI=1S/C19H19N7O2/c1-11-6-7-13(28-11)15-16-17(23-18(20)22-15)26(25-24-16)10-12-4-2-5-14(21-12)19(27)8-3-9-19/h2,4-7,27H,3,8-10H2,1H3,(H2,20,22,23)
InChIKeyPGCTZXXIHHZPHM-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.19
Rot. Bonds4

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

1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol (PubChem CID 44554482) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol
PubChem CID44554482
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol
SMILESCc1ccc(-c2nc(N)nc3c2nnn3Cc2cccc(C3(O)CCC3)n2)o1
InChIInChI=1S/C19H19N7O2/c1-11-6-7-13(28-11)15-16-17(23-18(20)22-15)26(25-24-16)10-12-4-2-5-14(21-12)19(27)8-3-9-19/h2,4-7,27H,3,8-10H2,1H3,(H2,20,22,23)
InChIKeyPGCTZXXIHHZPHM-UHFFFAOYSA-N
XLogP2.19
TPSA128.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol (CID 44554482) is 1-[6-[[5-amino-7-(5-methylfuran-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-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol is Cc1ccc(-c2nc(N)nc3c2nnn3Cc2cccc(C3(O)CCC3)n2)o1.
What is the InChIKey of 1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is PGCTZXXIHHZPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-11-6-7-13(28-11)15-16-17(23-18(20)22-15)26(25-24-16)10-12-4-2-5-14(21-12)19(27)8-3-9-19/h2,4-7,27H,3,8-10H2,1H3,(H2,20,22,23).
What are the key properties of 1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol?
1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 377.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 44554482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).