2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide

C11H12N4O2S — CID 63581314

IUPAC2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESCc1oc(CSc2cnccn2)cc1C(=O)NN
InChIInChI=1S/C11H12N4O2S/c1-7-9(11(16)15-12)4-8(17-7)6-18-10-5-13-2-3-14-10/h2-5H,6,12H2,1H3,(H,15,16)
InChIKeyDAGOOQOYZFZTPM-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.27
Rot. Bonds4

About 2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide

2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 63581314) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID63581314
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESCc1oc(CSc2cnccn2)cc1C(=O)NN
InChIInChI=1S/C11H12N4O2S/c1-7-9(11(16)15-12)4-8(17-7)6-18-10-5-13-2-3-14-10/h2-5H,6,12H2,1H3,(H,15,16)
InChIKeyDAGOOQOYZFZTPM-UHFFFAOYSA-N
XLogP1.27
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63582837
5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 106679449
2-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581132
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 104604223
5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 63581074
5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79141754
5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79533674
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63582663
5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63580274
2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 107782939
2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide
CID 105352320
2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide
CID 105352319

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide (CID 63581314) is 2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide is Cc1oc(CSc2cnccn2)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is DAGOOQOYZFZTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-9(11(16)15-12)4-8(17-7)6-18-10-5-13-2-3-14-10/h2-5H,6,12H2,1H3,(H,15,16).
What are the key properties of 2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide has a molecular weight of 264.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63581314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).