2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol

C11H15N5O — CID 115744712

IUPAC2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1nccn2c(C)nnc12
InChIInChI=1S/C11H15N5O/c1-3-5-15(7-8-17)10-11-14-13-9(2)16(11)6-4-12-10/h3-4,6,17H,1,5,7-8H2,2H3
InChIKeyODHSLURIIJHDHL-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.42
Rot. Bonds5

About 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol

2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol (PubChem CID 115744712) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol
PubChem CID115744712
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1nccn2c(C)nnc12
InChIInChI=1S/C11H15N5O/c1-3-5-15(7-8-17)10-11-14-13-9(2)16(11)6-4-12-10/h3-4,6,17H,1,5,7-8H2,2H3
InChIKeyODHSLURIIJHDHL-UHFFFAOYSA-N
XLogP0.42
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 106876373
2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol
CID 86815674
N-(2-bromoethyl)-N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 80667013
N-(2-bromoethyl)-3-methyl-N-pentan-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 80679479
3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol
CID 106171234
2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol
CID 105390415
2-[(5-bromopyrimidin-4-yl)-prop-2-enylamino]ethanol
CID 115715080
2-[(5-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 115744703
2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol
CID 106541610
N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113338962
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine
CID 100653666

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol (CID 115744712) is 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol is C=CCN(CCO)c1nccn2c(C)nnc12.
What is the InChIKey of 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol?
The InChIKey is ODHSLURIIJHDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-5-15(7-8-17)10-11-14-13-9(2)16(11)6-4-12-10/h3-4,6,17H,1,5,7-8H2,2H3.
What are the key properties of 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol?
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol has a molecular weight of 233.27 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol is sourced from PubChem (CID 115744712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).