1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C13H12N8 — CID 26003922

IUPAC1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3nnc4ccccn34)ncnc21
InChIInChI=1S/C13H12N8/c1-20-13-9(6-17-20)12(15-8-16-13)14-7-11-19-18-10-4-2-3-5-21(10)11/h2-6,8H,7H2,1H3,(H,14,15,16)
InChIKeyFDWOSMXBZQICGT-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.02
Rot. Bonds3

About 1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 26003922) has the molecular formula C13H12N8 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID26003922
Molecular FormulaC13H12N8
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3nnc4ccccn34)ncnc21
InChIInChI=1S/C13H12N8/c1-20-13-9(6-17-20)12(15-8-16-13)14-7-11-19-18-10-4-2-3-5-21(10)11/h2-6,8H,7H2,1H3,(H,14,15,16)
InChIKeyFDWOSMXBZQICGT-UHFFFAOYSA-N
XLogP1.02
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-ethyl-3-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111016052
N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 167807993
3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72925691
1-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 171705345
1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 167812213
N-(2-chloro-2-phenylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 65027355
N-[(4-bromo-2-chlorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 47446344
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 18277477
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115663474
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-phenylbenzene-1,2-diamine
CID 4975424
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 18273020

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 26003922) is 1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCc3nnc4ccccn34)ncnc21.
What is the InChIKey of 1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FDWOSMXBZQICGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8/c1-20-13-9(6-17-20)12(15-8-16-13)14-7-11-19-18-10-4-2-3-5-21(10)11/h2-6,8H,7H2,1H3,(H,14,15,16).
What are the key properties of 1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 280.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 26003922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).