3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile

C14H12N6 — CID 62980884

IUPAC3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1ncnc2c1cnn2C
InChIInChI=1S/C14H12N6/c1-19(11-5-3-4-10(6-11)7-15)13-12-8-18-20(2)14(12)17-9-16-13/h3-6,8-9H,1-2H3
InChIKeyHZUGGRUSXFLULP-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.00
Rot. Bonds2

About 3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile

3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile (PubChem CID 62980884) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile
PubChem CID62980884
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1ncnc2c1cnn2C
InChIInChI=1S/C14H12N6/c1-19(11-5-3-4-10(6-11)7-15)13-12-8-18-20(2)14(12)17-9-16-13/h3-6,8-9H,1-2H3
InChIKeyHZUGGRUSXFLULP-UHFFFAOYSA-N
XLogP2.00
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile (CID 62980884) is 3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile is CN(c1cccc(C#N)c1)c1ncnc2c1cnn2C.
What is the InChIKey of 3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile?
The InChIKey is HZUGGRUSXFLULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-19(11-5-3-4-10(6-11)7-15)13-12-8-18-20(2)14(12)17-9-16-13/h3-6,8-9H,1-2H3.
What are the key properties of 3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile?
3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 62980884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).