2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide

C7H13N5OS — CID 63591170

IUPAC2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide
SMILESCc1nc(SCC(C)C(=O)NN)n[nH]1
InChIInChI=1S/C7H13N5OS/c1-4(6(13)10-8)3-14-7-9-5(2)11-12-7/h4H,3,8H2,1-2H3,(H,10,13)(H,9,11,12)
InChIKeyPNYDKUOZRYCJBW-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.17
Rot. Bonds4

About 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide

2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide (PubChem CID 63591170) has the molecular formula C7H13N5OS and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide
PubChem CID63591170
Molecular FormulaC7H13N5OS
Molecular Weight215.28 g/mol
Exact Mass215.08
IUPAC Name2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide
SMILESCc1nc(SCC(C)C(=O)NN)n[nH]1
InChIInChI=1S/C7H13N5OS/c1-4(6(13)10-8)3-14-7-9-5(2)11-12-7/h4H,3,8H2,1-2H3,(H,10,13)(H,9,11,12)
InChIKeyPNYDKUOZRYCJBW-UHFFFAOYSA-N
XLogP-0.17
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide?
The IUPAC name of 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide (CID 63591170) is 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide?
The canonical SMILES for 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide is Cc1nc(SCC(C)C(=O)NN)n[nH]1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide?
The InChIKey is PNYDKUOZRYCJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5OS/c1-4(6(13)10-8)3-14-7-9-5(2)11-12-7/h4H,3,8H2,1-2H3,(H,10,13)(H,9,11,12).
What are the key properties of 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide?
2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide has a molecular weight of 215.28 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide is sourced from PubChem (CID 63591170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).