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

C11H17N5O2 — CID 106157669

IUPAC4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1nccn2c(C)nnc12
InChIInChI=1S/C11H17N5O2/c1-8-14-15-11-10(12-4-5-16(8)11)13-9(3-6-17)7-18-2/h4-5,9,17H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyLKRKTPJOJPBXNM-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.24
Rot. Bonds6

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

4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol (PubChem CID 106157669) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol
PubChem CID106157669
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1nccn2c(C)nnc12
InChIInChI=1S/C11H17N5O2/c1-8-14-15-11-10(12-4-5-16(8)11)13-9(3-6-17)7-18-2/h4-5,9,17H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyLKRKTPJOJPBXNM-UHFFFAOYSA-N
XLogP0.24
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103729169
N-(4-chlorobutan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 83187746
N-(1-chloropropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65029623
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanamide
CID 115685028
N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115692073
5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol
CID 107269269
1-[(4-hydroxy-1-methoxybutan-2-yl)amino]isoquinolin-7-ol
CID 106157913
4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 103703344
3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol
CID 106171234
ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate
CID 106158125
N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048654
3-cyclopropyl-N-(1-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133477972

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol (CID 106157669) is 4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol is COCC(CCO)Nc1nccn2c(C)nnc12.
What is the InChIKey of 4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol?
The InChIKey is LKRKTPJOJPBXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-8-14-15-11-10(12-4-5-16(8)11)13-9(3-6-17)7-18-2/h4-5,9,17H,3,6-7H2,1-2H3,(H,12,13).
What are the key properties of 4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol?
4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol has a molecular weight of 251.29 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol is sourced from PubChem (CID 106157669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).