3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol

C9H9N5O — CID 58269142

IUPAC3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol
SMILESCn1nc(C#CCO)c2c(N)ncnc21
InChIInChI=1S/C9H9N5O/c1-14-9-7(8(10)11-5-12-9)6(13-14)3-2-4-15/h5,15H,4H2,1H3,(H2,10,11,12)
InChIKeyMDLBPAQVHPJKPV-UHFFFAOYSA-N
MW203.20 g/mol
LogP-0.71
Rot. Bonds

About 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol

3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol (PubChem CID 58269142) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol
PubChem CID58269142
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol
SMILESCn1nc(C#CCO)c2c(N)ncnc21
InChIInChI=1S/C9H9N5O/c1-14-9-7(8(10)11-5-12-9)6(13-14)3-2-4-15/h5,15H,4H2,1H3,(H2,10,11,12)
InChIKeyMDLBPAQVHPJKPV-UHFFFAOYSA-N
XLogP-0.71
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219860
1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (6)
CID 59633844
(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine
CID 137148836
1H-Pyrazolo(3,4-d)pyrimidine-3-carbothioamide, 4-amino-1-((2-hydroxyethoxy)methyl)-
CID 3007214
1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 4-amino-1-((2-hydroxyethoxy)methyl)-
CID 516156
3-(3-Methylbut-3-en-1-ynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57523452
3-(3,3-Dimethylbut-1-ynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57523453
1-[(1,3-Dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 70710071
(4-Amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite
CID 126660787
2-[(4-Amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;ethane
CID 145130128
4-Amino-1-methyl-1h-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 273010
2-(4,6-Diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol
CID 338653

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol (CID 58269142) is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol is Cn1nc(C#CCO)c2c(N)ncnc21.
What is the InChIKey of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol?
The InChIKey is MDLBPAQVHPJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-14-9-7(8(10)11-5-12-9)6(13-14)3-2-4-15/h5,15H,4H2,1H3,(H2,10,11,12).
What are the key properties of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol?
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-yn-1-ol has a molecular weight of 203.20 g/mol, XLogP of -0.71, 0 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)prop-2-yn-1-ol is sourced from PubChem (CID 58269142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).