[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine

C11H13N7S2 — CID 63482049

IUPAC[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCc1nnc(SCc2nc(NN)c3ccsc3n2)n1C
InChIInChI=1S/C11H13N7S2/c1-6-16-17-11(18(6)2)20-5-8-13-9(15-12)7-3-4-19-10(7)14-8/h3-4H,5,12H2,1-2H3,(H,13,14,15)
InChIKeyDNWZZDRHOQPGBV-UHFFFAOYSA-N
MW307.41 g/mol
LogP1.71
Rot. Bonds4

About [2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 63482049) has the molecular formula C11H13N7S2 and a molecular weight of 307.41 g/mol. Its IUPAC name is [2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID63482049
Molecular FormulaC11H13N7S2
Molecular Weight307.41 g/mol
Exact Mass307.07
IUPAC Name[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCc1nnc(SCc2nc(NN)c3ccsc3n2)n1C
InChIInChI=1S/C11H13N7S2/c1-6-16-17-11(18(6)2)20-5-8-13-9(15-12)7-3-4-19-10(7)14-8/h3-4H,5,12H2,1-2H3,(H,13,14,15)
InChIKeyDNWZZDRHOQPGBV-UHFFFAOYSA-N
XLogP1.71
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine 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 [2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 63482049) is [2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is Cc1nnc(SCc2nc(NN)c3ccsc3n2)n1C.
What is the InChIKey of [2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is DNWZZDRHOQPGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7S2/c1-6-16-17-11(18(6)2)20-5-8-13-9(15-12)7-3-4-19-10(7)14-8/h3-4H,5,12H2,1-2H3,(H,13,14,15).
What are the key properties of [2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 307.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63482049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).