N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine

C18H15N5 — CID 13271938

IUPACN-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine
SMILESCN(c1ccccc1)c1cnc2c(cnn2-c2ccccc2)n1
InChIInChI=1S/C18H15N5/c1-22(14-8-4-2-5-9-14)17-13-19-18-16(21-17)12-20-23(18)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyAWEYLOHYJGTCAK-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.58
Rot. Bonds3

About N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine

N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine (PubChem CID 13271938) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine
PubChem CID13271938
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC NameN-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine
SMILESCN(c1ccccc1)c1cnc2c(cnn2-c2ccccc2)n1
InChIInChI=1S/C18H15N5/c1-22(14-8-4-2-5-9-14)17-13-19-18-16(21-17)12-20-23(18)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyAWEYLOHYJGTCAK-UHFFFAOYSA-N
XLogP3.58
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine?
The IUPAC name of N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine (CID 13271938) is N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine is CN(c1ccccc1)c1cnc2c(cnn2-c2ccccc2)n1.
What is the InChIKey of N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine?
The InChIKey is AWEYLOHYJGTCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-22(14-8-4-2-5-9-14)17-13-19-18-16(21-17)12-20-23(18)15-10-6-3-7-11-15/h2-13H,1H3.
What are the key properties of N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine?
N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine has a molecular weight of 301.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 13271938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).