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

C12H19N5O — CID 104624030

IUPACN-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOCCC(C)(C)CNc1nccn2cnnc12
InChIInChI=1S/C12H19N5O/c1-12(2,4-7-18-3)8-14-10-11-16-15-9-17(11)6-5-13-10/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyGYJHIWWPSCQEQJ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.60
Rot. Bonds6

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

N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 104624030) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID104624030
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOCCC(C)(C)CNc1nccn2cnnc12
InChIInChI=1S/C12H19N5O/c1-12(2,4-7-18-3)8-14-10-11-16-15-9-17(11)6-5-13-10/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyGYJHIWWPSCQEQJ-UHFFFAOYSA-N
XLogP1.60
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 104624030) is N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is COCCC(C)(C)CNc1nccn2cnnc12.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is GYJHIWWPSCQEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-12(2,4-7-18-3)8-14-10-11-16-15-9-17(11)6-5-13-10/h5-6,9H,4,7-8H2,1-3H3,(H,13,14).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 249.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 104624030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).