4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine

C10H7ClN6 — CID 86624426

IUPAC4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Cl)nc(-c3cnccn3)nc21
InChIInChI=1S/C10H7ClN6/c1-17-10-6(4-14-17)8(11)15-9(16-10)7-5-12-2-3-13-7/h2-5H,1H3
InChIKeyDJWHFHVEGPZAQB-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.47
Rot. Bonds1

About 4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine

4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 86624426) has the molecular formula C10H7ClN6 and a molecular weight of 246.66 g/mol. Its IUPAC name is 4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine
PubChem CID86624426
Molecular FormulaC10H7ClN6
Molecular Weight246.66 g/mol
Exact Mass246.04
IUPAC Name4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Cl)nc(-c3cnccn3)nc21
InChIInChI=1S/C10H7ClN6/c1-17-10-6(4-14-17)8(11)15-9(16-10)7-5-12-2-3-13-7/h2-5H,1H3
InChIKeyDJWHFHVEGPZAQB-UHFFFAOYSA-N
XLogP1.47
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine (CID 86624426) is 4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(Cl)nc(-c3cnccn3)nc21.
What is the InChIKey of 4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is DJWHFHVEGPZAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6/c1-17-10-6(4-14-17)8(11)15-9(16-10)7-5-12-2-3-13-7/h2-5H,1H3.
What are the key properties of 4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine?
4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 246.66 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 86624426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).