N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H20N8O — CID 56901129

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1cnnc1CCNc1nc(COC)nc2c1cnn2C
InChIInChI=1S/C14H20N8O/c1-4-22-9-16-20-12(22)5-6-15-13-10-7-17-21(2)14(10)19-11(18-13)8-23-3/h7,9H,4-6,8H2,1-3H3,(H,15,18,19)
InChIKeyFPFJENSTAJWVSG-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.78
Rot. Bonds7

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56901129) has the molecular formula C14H20N8O and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56901129
Molecular FormulaC14H20N8O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1cnnc1CCNc1nc(COC)nc2c1cnn2C
InChIInChI=1S/C14H20N8O/c1-4-22-9-16-20-12(22)5-6-15-13-10-7-17-21(2)14(10)19-11(18-13)8-23-3/h7,9H,4-6,8H2,1-3H3,(H,15,18,19)
InChIKeyFPFJENSTAJWVSG-UHFFFAOYSA-N
XLogP0.78
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56901129) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCn1cnnc1CCNc1nc(COC)nc2c1cnn2C.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FPFJENSTAJWVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O/c1-4-22-9-16-20-12(22)5-6-15-13-10-7-17-21(2)14(10)19-11(18-13)8-23-3/h7,9H,4-6,8H2,1-3H3,(H,15,18,19).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 316.37 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56901129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).