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

C12H14N8 — CID 144792699

IUPACethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine
SMILESCC.c1ncc2[nH]ncc2n1.c1ncc2cn[nH]c2n1
InChIInChI=1S/2C5H4N4.C2H6/c1-5-4(2-8-9-5)7-3-6-1;1-4-2-8-9-5(4)7-3-6-1;1-2/h1-3H,(H,8,9);1-3H,(H,6,7,8,9);1-2H3
InChIKeyZNYAENXJHBLUFF-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.73
Rot. Bonds

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

ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 144792699) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Nameethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine
PubChem CID144792699
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Nameethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine
SMILESCC.c1ncc2[nH]ncc2n1.c1ncc2cn[nH]c2n1
InChIInChI=1S/2C5H4N4.C2H6/c1-5-4(2-8-9-5)7-3-6-1;1-4-2-8-9-5(4)7-3-6-1;1-2/h1-3H,(H,8,9);1-3H,(H,6,7,8,9);1-2H3
InChIKeyZNYAENXJHBLUFF-UHFFFAOYSA-N
XLogP1.73
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 159271837
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CID 87375586
5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane
CID 164538697
2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine
CID 159073087
carbanide;1,5-dihydropyrazolo[5,4-b]pyridin-5-ide;ethane;tungsten(2+)
CID 171527126
CID 87584548
CID 87584548
methanamine;1H-pyrazolo[5,4-b]pyridine
CID 143863701
1H-indazole;quinazoline;quinoline-4-carboxylic acid
CID 70284288
1H-indazole;pyrido[3,4-d]pyrimidin-4-amine
CID 173270330
methylphosphane;1H-pyrazolo[4,5-c]pyridine
CID 169111634
ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 143782754

Frequently Asked Questions

What is the IUPAC name of ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine (CID 144792699) is ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine is CC.c1ncc2[nH]ncc2n1.c1ncc2cn[nH]c2n1.
What is the InChIKey of ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is ZNYAENXJHBLUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N4.C2H6/c1-5-4(2-8-9-5)7-3-6-1;1-4-2-8-9-5(4)7-3-6-1;1-2/h1-3H,(H,8,9);1-3H,(H,6,7,8,9);1-2H3.
What are the key properties of ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine?
ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 270.30 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 144792699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).