3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol

C12H19N5O — CID 106171234

IUPAC3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1nccn2c(C)nnc12
InChIInChI=1S/C12H19N5O/c1-4-12(3,5-8-18)14-10-11-16-15-9(2)17(11)7-6-13-10/h6-7,18H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyGVNREETZUYPCOX-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.40
Rot. Bonds5

About 3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol

3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol (PubChem CID 106171234) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol
PubChem CID106171234
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1nccn2c(C)nnc12
InChIInChI=1S/C12H19N5O/c1-4-12(3,5-8-18)14-10-11-16-15-9(2)17(11)7-6-13-10/h6-7,18H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyGVNREETZUYPCOX-UHFFFAOYSA-N
XLogP1.40
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol (CID 106171234) is 3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol is CCC(C)(CCO)Nc1nccn2c(C)nnc12.
What is the InChIKey of 3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol?
The InChIKey is GVNREETZUYPCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-12(3,5-8-18)14-10-11-16-15-9(2)17(11)7-6-13-10/h6-7,18H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol?
3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol has a molecular weight of 249.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol is sourced from PubChem (CID 106171234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).