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

C12H17N5O — CID 113253017

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOC1CC(Nc2nccn3cnnc23)C1(C)C
InChIInChI=1S/C12H17N5O/c1-12(2)8(6-9(12)18-3)15-10-11-16-14-7-17(11)5-4-13-10/h4-5,7-9H,6H2,1-3H3,(H,13,15)
InChIKeyBCZCMZUCCRHFPS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.35
Rot. Bonds3

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

N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 113253017) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID113253017
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOC1CC(Nc2nccn3cnnc23)C1(C)C
InChIInChI=1S/C12H17N5O/c1-12(2)8(6-9(12)18-3)15-10-11-16-14-7-17(11)5-4-13-10/h4-5,7-9H,6H2,1-3H3,(H,13,15)
InChIKeyBCZCMZUCCRHFPS-UHFFFAOYSA-N
XLogP1.35
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 113253017) is N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is COC1CC(Nc2nccn3cnnc23)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is BCZCMZUCCRHFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-12(2)8(6-9(12)18-3)15-10-11-16-14-7-17(11)5-4-13-10/h4-5,7-9H,6H2,1-3H3,(H,13,15).
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 247.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 113253017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).