3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol

C9H13N5O — CID 58269140

IUPAC3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol
SMILESCn1nc(CCCO)c2c(N)ncnc21
InChIInChI=1S/C9H13N5O/c1-14-9-7(8(10)11-5-12-9)6(13-14)3-2-4-15/h5,15H,2-4H2,1H3,(H2,10,11,12)
InChIKeySKDNYAYHKZKUIZ-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.13
Rot. Bonds3

About 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol

3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol (PubChem CID 58269140) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol
PubChem CID58269140
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol
SMILESCn1nc(CCCO)c2c(N)ncnc21
InChIInChI=1S/C9H13N5O/c1-14-9-7(8(10)11-5-12-9)6(13-14)3-2-4-15/h5,15H,2-4H2,1H3,(H2,10,11,12)
InChIKeySKDNYAYHKZKUIZ-UHFFFAOYSA-N
XLogP-0.13
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol?
The IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol (CID 58269140) is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol?
The canonical SMILES for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol is Cn1nc(CCCO)c2c(N)ncnc21.
What is the InChIKey of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol?
The InChIKey is SKDNYAYHKZKUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-14-9-7(8(10)11-5-12-9)6(13-14)3-2-4-15/h5,15H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol?
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol has a molecular weight of 207.24 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol is sourced from PubChem (CID 58269140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).