methanol;1H-pyrazolo[3,4-d]pyrimidine

C6H8N4O — CID 158521229

IUPACmethanol;1H-pyrazolo[3,4-d]pyrimidine
SMILESCO.c1ncc2cn[nH]c2n1
InChIInChI=1S/C5H4N4.CH4O/c1-4-2-8-9-5(4)7-3-6-1;1-2/h1-3H,(H,6,7,8,9);2H,1H3
InChIKeyHMFVZUBOJHXFQU-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.04
Rot. Bonds

About methanol;1H-pyrazolo[3,4-d]pyrimidine

methanol;1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 158521229) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is methanol;1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Namemethanol;1H-pyrazolo[3,4-d]pyrimidine
PubChem CID158521229
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Namemethanol;1H-pyrazolo[3,4-d]pyrimidine
SMILESCO.c1ncc2cn[nH]c2n1
InChIInChI=1S/C5H4N4.CH4O/c1-4-2-8-9-5(4)7-3-6-1;1-2/h1-3H,(H,6,7,8,9);2H,1H3
InChIKeyHMFVZUBOJHXFQU-UHFFFAOYSA-N
XLogP-0.04
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine
CID 144792699
4-methylbenzenesulfonic acid;1H-pyrazolo[3,4-d]pyrimidine
CID 87375586
methanamine;1H-pyrazolo[5,4-b]pyridine
CID 143863701
N-methyl-1H-pyrazolo[4,3-c]pyridin-7-amine
CID 169113930
CID 87584548
CID 87584548
ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 143782754
6-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 157124707
6-iodo-1H-pyrazolo[3,4-d]pyrimidine
CID 91507091
methane;1H-pyrazolo[5,4-b]pyridine
CID 167479315
5-(methoxymethyl)-1H-pyrazolo[5,4-b]pyridine
CID 67031148
N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67251691
1H-pyrazolo[5,4-b]pyridin-5-ylmethanamine
CID 69178714

Frequently Asked Questions

What is the IUPAC name of methanol;1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of methanol;1H-pyrazolo[3,4-d]pyrimidine (CID 158521229) is methanol;1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for methanol;1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for methanol;1H-pyrazolo[3,4-d]pyrimidine is CO.c1ncc2cn[nH]c2n1.
What is the InChIKey of methanol;1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is HMFVZUBOJHXFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.CH4O/c1-4-2-8-9-5(4)7-3-6-1;1-2/h1-3H,(H,6,7,8,9);2H,1H3.
What are the key properties of methanol;1H-pyrazolo[3,4-d]pyrimidine?
methanol;1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 152.16 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 158521229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).