1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C16H17N9 — CID 70726617

IUPAC1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(Cn1cncn1)Nc1nc(-c2ccncc2)nc2c1cnn2C
InChIInChI=1S/C16H17N9/c1-11(8-25-10-18-9-20-25)21-15-13-7-19-24(2)16(13)23-14(22-15)12-3-5-17-6-4-12/h3-7,9-11H,8H2,1-2H3,(H,21,22,23)
InChIKeyZADBIBIIJDZTMP-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.52
Rot. Bonds5

About 1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70726617) has the molecular formula C16H17N9 and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70726617
Molecular FormulaC16H17N9
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(Cn1cncn1)Nc1nc(-c2ccncc2)nc2c1cnn2C
InChIInChI=1S/C16H17N9/c1-11(8-25-10-18-9-20-25)21-15-13-7-19-24(2)16(13)23-14(22-15)12-3-5-17-6-4-12/h3-7,9-11H,8H2,1-2H3,(H,21,22,23)
InChIKeyZADBIBIIJDZTMP-UHFFFAOYSA-N
XLogP1.52
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 70726617) is 1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(Cn1cncn1)Nc1nc(-c2ccncc2)nc2c1cnn2C.
What is the InChIKey of 1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZADBIBIIJDZTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9/c1-11(8-25-10-18-9-20-25)21-15-13-7-19-24(2)16(13)23-14(22-15)12-3-5-17-6-4-12/h3-7,9-11H,8H2,1-2H3,(H,21,22,23).
What are the key properties of 1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 335.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70726617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).