[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine

C9H9N7S2 — CID 103336692

IUPAC[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCn1ncnc1Sc1nc(NN)nc2sccc12
InChIInChI=1S/C9H9N7S2/c1-16-9(11-4-12-16)18-7-5-2-3-17-6(5)13-8(14-7)15-10/h2-4H,10H2,1H3,(H,13,14,15)
InChIKeyBJTLTIKGJHCBTL-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.26
Rot. Bonds3

About [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine

[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 103336692) has the molecular formula C9H9N7S2 and a molecular weight of 279.35 g/mol. Its IUPAC name is [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID103336692
Molecular FormulaC9H9N7S2
Molecular Weight279.35 g/mol
Exact Mass279.04
IUPAC Name[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCn1ncnc1Sc1nc(NN)nc2sccc12
InChIInChI=1S/C9H9N7S2/c1-16-9(11-4-12-16)18-7-5-2-3-17-6(5)13-8(14-7)15-10/h2-4H,10H2,1H3,(H,13,14,15)
InChIKeyBJTLTIKGJHCBTL-UHFFFAOYSA-N
XLogP1.26
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.26
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 [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine with MolForge

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Related Compounds

[4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336586
(4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336570
(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336515
3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 103336601
[4-(2-methylfuran-3-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107785418
N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 104603999
[4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107766413
[4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336539
tert-butyl 2-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 103336695
[4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103334986
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334675
[4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336615

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 103336692) is [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine is Cn1ncnc1Sc1nc(NN)nc2sccc12.
What is the InChIKey of [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is BJTLTIKGJHCBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7S2/c1-16-9(11-4-12-16)18-7-5-2-3-17-6(5)13-8(14-7)15-10/h2-4H,10H2,1H3,(H,13,14,15).
What are the key properties of [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine?
[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 279.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103336692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).