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

C8H10N6O2S — CID 55213514

IUPAC5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CSc2nncn2N)o1
InChIInChI=1S/C8H10N6O2S/c9-12-7(15)6-2-1-5(16-6)3-17-8-13-11-4-14(8)10/h1-2,4H,3,9-10H2,(H,12,15)
InChIKeyJFHZCMUCCJYDLX-UHFFFAOYSA-N
MW254.28 g/mol
LogP-0.52
Rot. Bonds4

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

5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide (PubChem CID 55213514) has the molecular formula C8H10N6O2S and a molecular weight of 254.28 g/mol. Its IUPAC name is 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
PubChem CID55213514
Molecular FormulaC8H10N6O2S
Molecular Weight254.28 g/mol
Exact Mass254.06
IUPAC Name5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CSc2nncn2N)o1
InChIInChI=1S/C8H10N6O2S/c9-12-7(15)6-2-1-5(16-6)3-17-8-13-11-4-14(8)10/h1-2,4H,3,9-10H2,(H,12,15)
InChIKeyJFHZCMUCCJYDLX-UHFFFAOYSA-N
XLogP-0.52
TPSA124.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-0.52
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

2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352430
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581833
2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 63581836
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212131
5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582387
5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 114792304
5-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582175
5-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581804
5-[(2-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582719
5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787
N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
CID 63582844
5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63590097

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide (CID 55213514) is 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide is NNC(=O)c1ccc(CSc2nncn2N)o1.
What is the InChIKey of 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is JFHZCMUCCJYDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c9-12-7(15)6-2-1-5(16-6)3-17-8-13-11-4-14(8)10/h1-2,4H,3,9-10H2,(H,12,15).
What are the key properties of 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide?
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 254.28 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 55213514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).