[5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol

C15H21N9O — CID 91793410

IUPAC[5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C1CC(Nc2nc(N)c3cnn(C)c3n2)C1
InChIInChI=1S/C15H21N9O/c1-3-24-11(7-25)21-22-13(24)8-4-9(5-8)18-15-19-12(16)10-6-17-23(2)14(10)20-15/h6,8-9,25H,3-5,7H2,1-2H3,(H3,16,18,19,20)
InChIKeyUUDAXDZCUXIUOI-UHFFFAOYSA-N
MW343.40 g/mol
LogP0.41
Rot. Bonds5

About [5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol

[5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol (PubChem CID 91793410) has the molecular formula C15H21N9O and a molecular weight of 343.40 g/mol. Its IUPAC name is [5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
PubChem CID91793410
Molecular FormulaC15H21N9O
Molecular Weight343.40 g/mol
Exact Mass343.19
IUPAC Name[5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C1CC(Nc2nc(N)c3cnn(C)c3n2)C1
InChIInChI=1S/C15H21N9O/c1-3-24-11(7-25)21-22-13(24)8-4-9(5-8)18-15-19-12(16)10-6-17-23(2)14(10)20-15/h6,8-9,25H,3-5,7H2,1-2H3,(H3,16,18,19,20)
InChIKeyUUDAXDZCUXIUOI-UHFFFAOYSA-N
XLogP0.41
TPSA132.59 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol (CID 91793410) is [5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1C1CC(Nc2nc(N)c3cnn(C)c3n2)C1.
What is the InChIKey of [5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is UUDAXDZCUXIUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N9O/c1-3-24-11(7-25)21-22-13(24)8-4-9(5-8)18-15-19-12(16)10-6-17-23(2)14(10)20-15/h6,8-9,25H,3-5,7H2,1-2H3,(H3,16,18,19,20).
What are the key properties of [5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol?
[5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 343.40 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 91793410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).