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

C10H15N7O2S — CID 63581050

IUPAC5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)n1c(N)nnc1SCc1cc(C(=O)NN)no1
InChIInChI=1S/C10H15N7O2S/c1-5(2)17-9(11)14-15-10(17)20-4-6-3-7(16-19-6)8(18)13-12/h3,5H,4,12H2,1-2H3,(H2,11,14)(H,13,18)
InChIKeyVNRDGKDTAAFJIB-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.32
Rot. Bonds5

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

5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63581050) has the molecular formula C10H15N7O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63581050
Molecular FormulaC10H15N7O2S
Molecular Weight297.34 g/mol
Exact Mass297.10
IUPAC Name5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)n1c(N)nnc1SCc1cc(C(=O)NN)no1
InChIInChI=1S/C10H15N7O2S/c1-5(2)17-9(11)14-15-10(17)20-4-6-3-7(16-19-6)8(18)13-12/h3,5H,4,12H2,1-2H3,(H2,11,14)(H,13,18)
InChIKeyVNRDGKDTAAFJIB-UHFFFAOYSA-N
XLogP0.32
TPSA137.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide (CID 63581050) is 5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide is CC(C)n1c(N)nnc1SCc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is VNRDGKDTAAFJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2S/c1-5(2)17-9(11)14-15-10(17)20-4-6-3-7(16-19-6)8(18)13-12/h3,5H,4,12H2,1-2H3,(H2,11,14)(H,13,18).
What are the key properties of 5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide?
5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 297.34 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63581050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).