N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H17N5O — CID 102609179

IUPACN-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCOC1CC(Nc2nccn3c(C)nnc23)C1
InChIInChI=1S/C12H17N5O/c1-3-18-10-6-9(7-10)14-11-12-16-15-8(2)17(12)5-4-13-11/h4-5,9-10H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyIAGFPZMLRGNBQI-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.41
Rot. Bonds4

About N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 102609179) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID102609179
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCOC1CC(Nc2nccn3c(C)nnc23)C1
InChIInChI=1S/C12H17N5O/c1-3-18-10-6-9(7-10)14-11-12-16-15-8(2)17(12)5-4-13-11/h4-5,9-10H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyIAGFPZMLRGNBQI-UHFFFAOYSA-N
XLogP1.41
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 102609179) is N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CCOC1CC(Nc2nccn3c(C)nnc23)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is IAGFPZMLRGNBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-18-10-6-9(7-10)14-11-12-16-15-8(2)17(12)5-4-13-11/h4-5,9-10H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 247.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 102609179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).