ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide

C9H13N5O — CID 145225109

IUPACethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCC.CNC(=O)c1ncc2cn[nH]c2n1
InChIInChI=1S/C7H7N5O.C2H6/c1-8-7(13)6-9-2-4-3-10-12-5(4)11-6;1-2/h2-3H,1H3,(H,8,13)(H,9,10,11,12);1-2H3
InChIKeyVWEXZCWGFUERNB-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.74
Rot. Bonds1

About ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide

ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 145225109) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID145225109
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Nameethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCC.CNC(=O)c1ncc2cn[nH]c2n1
InChIInChI=1S/C7H7N5O.C2H6/c1-8-7(13)6-9-2-4-3-10-12-5(4)11-6;1-2/h2-3H,1H3,(H,8,13)(H,9,10,11,12);1-2H3
InChIKeyVWEXZCWGFUERNB-UHFFFAOYSA-N
XLogP0.74
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-methyl-1H-pyrazolo[4,3-c]pyridine-6-carboxamide
CID 145225165
N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide
CID 91425745
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N,4-dimethylpyrimidine-2-carboxamide
CID 127011220
6-iodo-1H-pyrazolo[3,4-d]pyrimidine
CID 91507091
5-bromo-N-methyl-1H-1,2,4-triazole-3-carboxamide
CID 51049268
ethyl 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazine-1-carboxylate
CID 146042304
methanol;1H-pyrazolo[3,4-d]pyrimidine
CID 158521229
methyl 1H-pyrazolo[4,3-d]pyrimidine-5-carboxylate
CID 154851752
4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol
CID 135882334
N,4-dimethyl-1H-indazole-7-carboxamide
CID 167502004
ethane;6-methyl-1H-pyrazolo[5,4-b]pyridine
CID 143926189

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide (CID 145225109) is ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide is CC.CNC(=O)c1ncc2cn[nH]c2n1.
What is the InChIKey of ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is VWEXZCWGFUERNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O.C2H6/c1-8-7(13)6-9-2-4-3-10-12-5(4)11-6;1-2/h2-3H,1H3,(H,8,13)(H,9,10,11,12);1-2H3.
What are the key properties of ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide?
ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 207.24 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 145225109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).