6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine

C14H17N5S2 — CID 142485842

IUPAC6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine
SMILESCCCCSc1sc2nc(-c3cnn(C)c3)cnc2c1N
InChIInChI=1S/C14H17N5S2/c1-3-4-5-20-14-11(15)12-13(21-14)18-10(7-16-12)9-6-17-19(2)8-9/h6-8H,3-5,15H2,1-2H3
InChIKeyKYSMIADRTUPNTP-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.57
Rot. Bonds5

About 6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine

6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine (PubChem CID 142485842) has the molecular formula C14H17N5S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine.

Molecular Properties

Compound Name6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine
PubChem CID142485842
Molecular FormulaC14H17N5S2
Molecular Weight319.46 g/mol
Exact Mass319.09
IUPAC Name6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine
SMILESCCCCSc1sc2nc(-c3cnn(C)c3)cnc2c1N
InChIInChI=1S/C14H17N5S2/c1-3-4-5-20-14-11(15)12-13(21-14)18-10(7-16-12)9-6-17-19(2)8-9/h6-8H,3-5,15H2,1-2H3
InChIKeyKYSMIADRTUPNTP-UHFFFAOYSA-N
XLogP3.57
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-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 6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine?
The IUPAC name of 6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine (CID 142485842) is 6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine.
What is the SMILES notation for 6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine?
The canonical SMILES for 6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine is CCCCSc1sc2nc(-c3cnn(C)c3)cnc2c1N.
What is the InChIKey of 6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine?
The InChIKey is KYSMIADRTUPNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S2/c1-3-4-5-20-14-11(15)12-13(21-14)18-10(7-16-12)9-6-17-19(2)8-9/h6-8H,3-5,15H2,1-2H3.
What are the key properties of 6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine?
6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine has a molecular weight of 319.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine is sourced from PubChem (CID 142485842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).