2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol

C11H17N5O — CID 103858577

IUPAC2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol
SMILESCC(CO)CCCNc1nccn2cnnc12
InChIInChI=1S/C11H17N5O/c1-9(7-17)3-2-4-12-10-11-15-14-8-16(11)6-5-13-10/h5-6,8-9,17H,2-4,7H2,1H3,(H,12,13)
InChIKeyLGYASXQLUQONKX-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.94
Rot. Bonds6

About 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol

2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol (PubChem CID 103858577) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol
PubChem CID103858577
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol
SMILESCC(CO)CCCNc1nccn2cnnc12
InChIInChI=1S/C11H17N5O/c1-9(7-17)3-2-4-12-10-11-15-14-8-16(11)6-5-13-10/h5-6,8-9,17H,2-4,7H2,1H3,(H,12,13)
InChIKeyLGYASXQLUQONKX-UHFFFAOYSA-N
XLogP0.94
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol (CID 103858577) is 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol is CC(CO)CCCNc1nccn2cnnc12.
What is the InChIKey of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol?
The InChIKey is LGYASXQLUQONKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-9(7-17)3-2-4-12-10-11-15-14-8-16(11)6-5-13-10/h5-6,8-9,17H,2-4,7H2,1H3,(H,12,13).
What are the key properties of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol?
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol has a molecular weight of 235.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol is sourced from PubChem (CID 103858577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).