5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide

C10H14N6O2S — CID 63589938

IUPAC5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CSc2nnc(N)n2C)oc1C(=O)NN
InChIInChI=1S/C10H14N6O2S/c1-5-3-6(18-7(5)8(17)13-12)4-19-10-15-14-9(11)16(10)2/h3H,4,12H2,1-2H3,(H2,11,14)(H,13,17)
InChIKeySKZFQKHIMXNEFV-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.19
Rot. Bonds4

About 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide

5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide (PubChem CID 63589938) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
PubChem CID63589938
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CSc2nnc(N)n2C)oc1C(=O)NN
InChIInChI=1S/C10H14N6O2S/c1-5-3-6(18-7(5)8(17)13-12)4-19-10-15-14-9(11)16(10)2/h3H,4,12H2,1-2H3,(H2,11,14)(H,13,17)
InChIKeySKZFQKHIMXNEFV-UHFFFAOYSA-N
XLogP0.19
TPSA124.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581971
3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
CID 63581814
5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63591336
3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide
CID 63580250
3-methyl-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
CID 6928276
2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide
CID 114234633
5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63581648
3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide
CID 107760942
5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63581050
methyl 3-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]propanoate
CID 63581586
methyl 5-[[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylmethyl]-3-methylfuran-2-carboxylate
CID 66149831
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 104604223

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide (CID 63589938) is 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide is Cc1cc(CSc2nnc(N)n2C)oc1C(=O)NN.
What is the InChIKey of 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is SKZFQKHIMXNEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-5-3-6(18-7(5)8(17)13-12)4-19-10-15-14-9(11)16(10)2/h3H,4,12H2,1-2H3,(H2,11,14)(H,13,17).
What are the key properties of 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide?
5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 282.33 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63589938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).