6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C17H21N5O2 — CID 69483824

IUPAC6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(CNc2nc(C(C)(C)C)cn3c(=O)[nH]nc23)cc1
InChIInChI=1S/C17H21N5O2/c1-17(2,3)13-10-22-15(20-21-16(22)23)14(19-13)18-9-11-5-7-12(24-4)8-6-11/h5-8,10H,9H2,1-4H3,(H,18,19)(H,21,23)
InChIKeyJOFKTPDXIBWCSE-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.34
Rot. Bonds4

About 6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 69483824) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID69483824
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(CNc2nc(C(C)(C)C)cn3c(=O)[nH]nc23)cc1
InChIInChI=1S/C17H21N5O2/c1-17(2,3)13-10-22-15(20-21-16(22)23)14(19-13)18-9-11-5-7-12(24-4)8-6-11/h5-8,10H,9H2,1-4H3,(H,18,19)(H,21,23)
InChIKeyJOFKTPDXIBWCSE-UHFFFAOYSA-N
XLogP2.34
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 69483824) is 6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(CNc2nc(C(C)(C)C)cn3c(=O)[nH]nc23)cc1.
What is the InChIKey of 6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is JOFKTPDXIBWCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-17(2,3)13-10-22-15(20-21-16(22)23)14(19-13)18-9-11-5-7-12(24-4)8-6-11/h5-8,10H,9H2,1-4H3,(H,18,19)(H,21,23).
What are the key properties of 6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 327.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-8-[(4-methoxyphenyl)methylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 69483824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).