N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C13H12N8 — CID 18277477

IUPACN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccn2c(CCNc3ncnc4[nH]ncc34)nnc2c1
InChIInChI=1S/C13H12N8/c1-2-6-21-10(3-1)18-19-11(21)4-5-14-12-9-7-17-20-13(9)16-8-15-12/h1-3,6-8H,4-5H2,(H2,14,15,16,17,20)
InChIKeyDKGFPWNOWQVQLG-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.05
Rot. Bonds4

About N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 18277477) has the molecular formula C13H12N8 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID18277477
Molecular FormulaC13H12N8
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccn2c(CCNc3ncnc4[nH]ncc34)nnc2c1
InChIInChI=1S/C13H12N8/c1-2-6-21-10(3-1)18-19-11(21)4-5-14-12-9-7-17-20-13(9)16-8-15-12/h1-3,6-8H,4-5H2,(H2,14,15,16,17,20)
InChIKeyDKGFPWNOWQVQLG-UHFFFAOYSA-N
XLogP1.05
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 18277477) is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1ccn2c(CCNc3ncnc4[nH]ncc34)nnc2c1.
What is the InChIKey of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is DKGFPWNOWQVQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8/c1-2-6-21-10(3-1)18-19-11(21)4-5-14-12-9-7-17-20-13(9)16-8-15-12/h1-3,6-8H,4-5H2,(H2,14,15,16,17,20).
What are the key properties of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 280.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 18277477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).