1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol

C10H19N5OS — CID 107408610

IUPAC1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(Cc2nnsc2NN)CC1
InChIInChI=1S/C10H19N5OS/c1-10(16)3-2-5-15(6-4-10)7-8-9(12-11)17-14-13-8/h12,16H,2-7,11H2,1H3
InChIKeyWGZKXYRBOADJIT-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.56
Rot. Bonds3

About 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol

1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol (PubChem CID 107408610) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol
PubChem CID107408610
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(Cc2nnsc2NN)CC1
InChIInChI=1S/C10H19N5OS/c1-10(16)3-2-5-15(6-4-10)7-8-9(12-11)17-14-13-8/h12,16H,2-7,11H2,1H3
InChIKeyWGZKXYRBOADJIT-UHFFFAOYSA-N
XLogP0.56
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol (CID 107408610) is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol is CC1(O)CCCN(Cc2nnsc2NN)CC1.
What is the InChIKey of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol?
The InChIKey is WGZKXYRBOADJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-10(16)3-2-5-15(6-4-10)7-8-9(12-11)17-14-13-8/h12,16H,2-7,11H2,1H3.
What are the key properties of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol?
1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol has a molecular weight of 257.36 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107408610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).