5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide

C11H13N5O2S — CID 106679449

IUPAC5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CSc2nccnc2N)cc1C(=O)NN
InChIInChI=1S/C11H13N5O2S/c1-6-8(10(17)16-13)4-7(18-6)5-19-11-9(12)14-2-3-15-11/h2-4H,5,13H2,1H3,(H2,12,14)(H,16,17)
InChIKeyWXAXPTXUOVRUQD-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.86
Rot. Bonds4

About 5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide

5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide (PubChem CID 106679449) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
PubChem CID106679449
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CSc2nccnc2N)cc1C(=O)NN
InChIInChI=1S/C11H13N5O2S/c1-6-8(10(17)16-13)4-7(18-6)5-19-11-9(12)14-2-3-15-11/h2-4H,5,13H2,1H3,(H2,12,14)(H,16,17)
InChIKeyWXAXPTXUOVRUQD-UHFFFAOYSA-N
XLogP0.86
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581314
2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63582837
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-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 55213052
2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide
CID 63572711
2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581489

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide (CID 106679449) is 5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide is Cc1oc(CSc2nccnc2N)cc1C(=O)NN.
What is the InChIKey of 5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is WXAXPTXUOVRUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-6-8(10(17)16-13)4-7(18-6)5-19-11-9(12)14-2-3-15-11/h2-4H,5,13H2,1H3,(H2,12,14)(H,16,17).
What are the key properties of 5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 279.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 106679449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).