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

C10H15N5O — CID 64571280

IUPAC2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine
SMILESCCC(C)(N)COc1nccn2cnnc12
InChIInChI=1S/C10H15N5O/c1-3-10(2,11)6-16-9-8-14-13-7-15(8)5-4-12-9/h4-5,7H,3,6,11H2,1-2H3
InChIKeyNWMHDKGOSYLYLI-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.63
Rot. Bonds4

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

2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine (PubChem CID 64571280) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine.

Molecular Properties

Compound Name2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine
PubChem CID64571280
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine
SMILESCCC(C)(N)COc1nccn2cnnc12
InChIInChI=1S/C10H15N5O/c1-3-10(2,11)6-16-9-8-14-13-7-15(8)5-4-12-9/h4-5,7H,3,6,11H2,1-2H3
InChIKeyNWMHDKGOSYLYLI-UHFFFAOYSA-N
XLogP0.63
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine?
The IUPAC name of 2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine (CID 64571280) is 2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine.
What is the SMILES notation for 2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine?
The canonical SMILES for 2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine is CCC(C)(N)COc1nccn2cnnc12.
What is the InChIKey of 2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine?
The InChIKey is NWMHDKGOSYLYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-10(2,11)6-16-9-8-14-13-7-15(8)5-4-12-9/h4-5,7H,3,6,11H2,1-2H3.
What are the key properties of 2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine?
2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine has a molecular weight of 221.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine is sourced from PubChem (CID 64571280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).