5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide

C8H9N5OS — CID 63572235

IUPAC5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cncn2)s1
InChIInChI=1S/C8H9N5OS/c9-12-8(14)7-2-1-6(15-7)3-13-5-10-4-11-13/h1-2,4-5H,3,9H2,(H,12,14)
InChIKeyPOBAGHJGMWUGKP-UHFFFAOYSA-N
MW223.26 g/mol
LogP-0.01
Rot. Bonds3

About 5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide

5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide (PubChem CID 63572235) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide
PubChem CID63572235
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cncn2)s1
InChIInChI=1S/C8H9N5OS/c9-12-8(14)7-2-1-6(15-7)3-13-5-10-4-11-13/h1-2,4-5H,3,9H2,(H,12,14)
InChIKeyPOBAGHJGMWUGKP-UHFFFAOYSA-N
XLogP-0.01
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide (CID 63572235) is 5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide is NNC(=O)c1ccc(Cn2cncn2)s1.
What is the InChIKey of 5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide?
The InChIKey is POBAGHJGMWUGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c9-12-8(14)7-2-1-6(15-7)3-13-5-10-4-11-13/h1-2,4-5H,3,9H2,(H,12,14).
What are the key properties of 5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide?
5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide has a molecular weight of 223.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-triazol-1-ylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 63572235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).