2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol

C18H19N7O — CID 59341867

IUPAC2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol
SMILESCC(C)(O)CNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C18H19N7O/c1-18(2,26)11-21-15-9-20-16-17(22-15)25(24-23-16)10-12-5-6-14-13(8-12)4-3-7-19-14/h3-9,26H,10-11H2,1-2H3,(H,21,22)
InChIKeyJHMTZDGTLHVROJ-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.00
Rot. Bonds5

About 2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol

2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol (PubChem CID 59341867) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol
PubChem CID59341867
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol
SMILESCC(C)(O)CNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C18H19N7O/c1-18(2,26)11-21-15-9-20-16-17(22-15)25(24-23-16)10-12-5-6-14-13(8-12)4-3-7-19-14/h3-9,26H,10-11H2,1-2H3,(H,21,22)
InChIKeyJHMTZDGTLHVROJ-UHFFFAOYSA-N
XLogP2.00
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-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

1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
CID 59341944
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylidenehydrazine
CID 78153634
methyl 2-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]oxyacetate
CID 76720043
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24852078
6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 156790144
methyl 2-[methyl-[4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]phenyl]phosphoryl]oxyacetate
CID 175621530
N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide
CID 148707526
N-[4-[bis(ethylamino)phosphoryl]-2-fluorophenyl]-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
CID 175621557
N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-4-carboxamide
CID 153129012
6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851840

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol (CID 59341867) is 2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol is CC(C)(O)CNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of 2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol?
The InChIKey is JHMTZDGTLHVROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-18(2,26)11-21-15-9-20-16-17(22-15)25(24-23-16)10-12-5-6-14-13(8-12)4-3-7-19-14/h3-9,26H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol?
2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol has a molecular weight of 349.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol is sourced from PubChem (CID 59341867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).