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

C19H19N7O — CID 44554657

IUPAC2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Cn2nnc3c(-c4ccccc4)nc(N)nc32)n1
InChIInChI=1S/C19H19N7O/c1-19(2,27)14-10-6-9-13(21-14)11-26-17-16(24-25-26)15(22-18(20)23-17)12-7-4-3-5-8-12/h3-10,27H,11H2,1-2H3,(H2,20,22,23)
InChIKeyXXDKXHMRTBKSFA-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.14
Rot. Bonds4

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

2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol (PubChem CID 44554657) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol
PubChem CID44554657
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Cn2nnc3c(-c4ccccc4)nc(N)nc32)n1
InChIInChI=1S/C19H19N7O/c1-19(2,27)14-10-6-9-13(21-14)11-26-17-16(24-25-26)15(22-18(20)23-17)12-7-4-3-5-8-12/h3-10,27H,11H2,1-2H3,(H2,20,22,23)
InChIKeyXXDKXHMRTBKSFA-UHFFFAOYSA-N
XLogP2.14
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol (CID 44554657) is 2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(Cn2nnc3c(-c4ccccc4)nc(N)nc32)n1.
What is the InChIKey of 2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol?
The InChIKey is XXDKXHMRTBKSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-19(2,27)14-10-6-9-13(21-14)11-26-17-16(24-25-26)15(22-18(20)23-17)12-7-4-3-5-8-12/h3-10,27H,11H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol?
2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol has a molecular weight of 361.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 44554657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).