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

C10H13N5O2S — CID 104604223

IUPAC2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
SMILESCc1oc(CSc2ncnn2C)cc1C(=O)NN
InChIInChI=1S/C10H13N5O2S/c1-6-8(9(16)14-11)3-7(17-6)4-18-10-12-5-13-15(10)2/h3,5H,4,11H2,1-2H3,(H,14,16)
InChIKeyNKBJXXWGWMQXCI-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.61
Rot. Bonds4

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

2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 104604223) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID104604223
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
SMILESCc1oc(CSc2ncnn2C)cc1C(=O)NN
InChIInChI=1S/C10H13N5O2S/c1-6-8(9(16)14-11)3-7(17-6)4-18-10-12-5-13-15(10)2/h3,5H,4,11H2,1-2H3,(H,14,16)
InChIKeyNKBJXXWGWMQXCI-UHFFFAOYSA-N
XLogP0.61
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide (CID 104604223) is 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide is Cc1oc(CSc2ncnn2C)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is NKBJXXWGWMQXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-6-8(9(16)14-11)3-7(17-6)4-18-10-12-5-13-15(10)2/h3,5H,4,11H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 267.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 104604223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).