N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine

C13H21N3S — CID 45378621

IUPACN-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESCc1ccc(C2NCCN=C2NC(C)(C)C)s1
InChIInChI=1S/C13H21N3S/c1-9-5-6-10(17-9)11-12(15-8-7-14-11)16-13(2,3)4/h5-6,11,14H,7-8H2,1-4H3,(H,15,16)
InChIKeyFBBCJMSEZDIXHA-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.49
Rot. Bonds1

About N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine

N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine (PubChem CID 45378621) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine
PubChem CID45378621
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESCc1ccc(C2NCCN=C2NC(C)(C)C)s1
InChIInChI=1S/C13H21N3S/c1-9-5-6-10(17-9)11-12(15-8-7-14-11)16-13(2,3)4/h5-6,11,14H,7-8H2,1-4H3,(H,15,16)
InChIKeyFBBCJMSEZDIXHA-UHFFFAOYSA-N
XLogP2.49
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine 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 N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine?
The IUPAC name of N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine (CID 45378621) is N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine.
What is the SMILES notation for N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine?
The canonical SMILES for N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine is Cc1ccc(C2NCCN=C2NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine?
The InChIKey is FBBCJMSEZDIXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-5-6-10(17-9)11-12(15-8-7-14-11)16-13(2,3)4/h5-6,11,14H,7-8H2,1-4H3,(H,15,16).
What are the key properties of N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine?
N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine has a molecular weight of 251.40 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine is sourced from PubChem (CID 45378621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).