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

C9H11N5O2S — CID 63590097

IUPAC5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
SMILESCc1nc(SCc2ccc(C(=O)NN)o2)n[nH]1
InChIInChI=1S/C9H11N5O2S/c1-5-11-9(14-13-5)17-4-6-2-3-7(16-6)8(15)12-10/h2-3H,4,10H2,1H3,(H,12,15)(H,11,13,14)
InChIKeyFKQKIWIRGXYDBU-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.60
Rot. Bonds4

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

5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide (PubChem CID 63590097) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
PubChem CID63590097
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
SMILESCc1nc(SCc2ccc(C(=O)NN)o2)n[nH]1
InChIInChI=1S/C9H11N5O2S/c1-5-11-9(14-13-5)17-4-6-2-3-7(16-6)8(15)12-10/h2-3H,4,10H2,1H3,(H,12,15)(H,11,13,14)
InChIKeyFKQKIWIRGXYDBU-UHFFFAOYSA-N
XLogP0.60
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
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

ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate
CID 740366
methyl 5-{[(5-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate
CID 741345
alpha-(5-(2-Furyl)-1,2,4-triazol-3-ylthio)acethydrazide
CID 193126
N'-[2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 8305854
5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
CID 64510599
5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
CID 64511239
5-(difluoromethylsulfanylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-carboxamide
CID 64518395
5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 78928214
2-[[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one
CID 42952461
N'-[2-[(11,12-dimethyl-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,11-tetraen-5-yl)sulfanyl]acetyl]furan-2-carbohydrazide
CID 11590419
N'-[2-(10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,11-tetraen-5-ylsulfanyl)acetyl]furan-2-carbohydrazide
CID 58730678
5-bromo-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)furan-2-carboxamide
CID 952499

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide (CID 63590097) is 5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide is Cc1nc(SCc2ccc(C(=O)NN)o2)n[nH]1.
What is the InChIKey of 5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is FKQKIWIRGXYDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-5-11-9(14-13-5)17-4-6-2-3-7(16-6)8(15)12-10/h2-3H,4,10H2,1H3,(H,12,15)(H,11,13,14).
What are the key properties of 5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide?
5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 253.29 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 63590097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).