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

C11H13N7OS — CID 106598874

IUPAC[6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCCc1cc2c(Oc3ncn(C)n3)nc(NN)nc2s1
InChIInChI=1S/C11H13N7OS/c1-3-6-4-7-8(19-11-13-5-18(2)17-11)14-10(16-12)15-9(7)20-6/h4-5H,3,12H2,1-2H3,(H,14,15,16)
InChIKeyPGYSQPYMQDHZFM-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.46
Rot. Bonds4

About [6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine

[6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 106598874) has the molecular formula C11H13N7OS and a molecular weight of 291.34 g/mol. Its IUPAC name is [6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID106598874
Molecular FormulaC11H13N7OS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name[6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCCc1cc2c(Oc3ncn(C)n3)nc(NN)nc2s1
InChIInChI=1S/C11H13N7OS/c1-3-6-4-7-8(19-11-13-5-18(2)17-11)14-10(16-12)15-9(7)20-6/h4-5H,3,12H2,1-2H3,(H,14,15,16)
InChIKeyPGYSQPYMQDHZFM-UHFFFAOYSA-N
XLogP1.46
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.46
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'}

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Frequently Asked Questions

What is the IUPAC name of [6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 106598874) is [6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine is CCc1cc2c(Oc3ncn(C)n3)nc(NN)nc2s1.
What is the InChIKey of [6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is PGYSQPYMQDHZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7OS/c1-3-6-4-7-8(19-11-13-5-18(2)17-11)14-10(16-12)15-9(7)20-6/h4-5H,3,12H2,1-2H3,(H,14,15,16).
What are the key properties of [6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine?
[6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 291.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 106598874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).