6-chloro-1H-pyrazolo[3,4-b]pyrazine

C5H3ClN4 — CID 71463967

IUPAC6-chloro-1H-pyrazolo[3,4-b]pyrazine
SMILESClc1cnc2cn[nH]c2n1
InChIInChI=1S/C5H3ClN4/c6-4-2-7-3-1-8-10-5(3)9-4/h1-2H,(H,8,9,10)
InChIKeyPGTUKZWBYWVLHW-UHFFFAOYSA-N
MW154.56 g/mol
LogP1.01
Rot. Bonds

About 6-chloro-1H-pyrazolo[3,4-b]pyrazine

6-chloro-1H-pyrazolo[3,4-b]pyrazine (PubChem CID 71463967) has the molecular formula C5H3ClN4 and a molecular weight of 154.56 g/mol. Its IUPAC name is 6-chloro-1H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-chloro-1H-pyrazolo[3,4-b]pyrazine
PubChem CID71463967
Molecular FormulaC5H3ClN4
Molecular Weight154.56 g/mol
Exact Mass154.00
IUPAC Name6-chloro-1H-pyrazolo[3,4-b]pyrazine
SMILESClc1cnc2cn[nH]c2n1
InChIInChI=1S/C5H3ClN4/c6-4-2-7-3-1-8-10-5(3)9-4/h1-2H,(H,8,9,10)
InChIKeyPGTUKZWBYWVLHW-UHFFFAOYSA-N
XLogP1.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.56
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Triazolopyrimidine
CID 64962
2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine
CID 57170188
4,7-Diaza-1H-indazole
CID 12913751
1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
Pyrazolo[4,3-e][1,2,4]triazine
CID 53633572
1h-Pyrazolo[3,4-b]pyrazin-3-amine
CID 294464
1-Methyl-6-(trichloromethyl)pyrazolo[3,4-b]pyrazin-3-amine
CID 296470
1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine
CID 585734
3-Bromo-1H-pyrazolo(3,4-b)pyrazine
CID 12913749
3-Methyl-1H-pyrazolo[4,3-b]pyrazine
CID 57415857
3-Amino-5-bromo-1H-pyrazolo(3,4-b)pyrazine
CID 57415872
6-Chloropyrazolo[1,5-a]pyrimidin-3-amine
CID 84717303

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-chloro-1H-pyrazolo[3,4-b]pyrazine (CID 71463967) is 6-chloro-1H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-chloro-1H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-chloro-1H-pyrazolo[3,4-b]pyrazine is Clc1cnc2cn[nH]c2n1.
What is the InChIKey of 6-chloro-1H-pyrazolo[3,4-b]pyrazine?
The InChIKey is PGTUKZWBYWVLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4/c6-4-2-7-3-1-8-10-5(3)9-4/h1-2H,(H,8,9,10).
What are the key properties of 6-chloro-1H-pyrazolo[3,4-b]pyrazine?
6-chloro-1H-pyrazolo[3,4-b]pyrazine has a molecular weight of 154.56 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 71463967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).