3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile

C10H18N6S — CID 80614069

IUPAC3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)Cc1nnc(NN)s1
InChIInChI=1S/C10H18N6S/c1-8(2)6-16(5-3-4-11)7-9-14-15-10(13-12)17-9/h8H,3,5-7,12H2,1-2H3,(H,13,15)
InChIKeyYSPAUMYQISUMJZ-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.20
Rot. Bonds7

About 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile

3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile (PubChem CID 80614069) has the molecular formula C10H18N6S and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile
PubChem CID80614069
Molecular FormulaC10H18N6S
Molecular Weight254.36 g/mol
Exact Mass254.13
IUPAC Name3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)Cc1nnc(NN)s1
InChIInChI=1S/C10H18N6S/c1-8(2)6-16(5-3-4-11)7-9-14-15-10(13-12)17-9/h8H,3,5-7,12H2,1-2H3,(H,13,15)
InChIKeyYSPAUMYQISUMJZ-UHFFFAOYSA-N
XLogP1.20
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile (CID 80614069) is 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile is CC(C)CN(CCC#N)Cc1nnc(NN)s1.
What is the InChIKey of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile?
The InChIKey is YSPAUMYQISUMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6S/c1-8(2)6-16(5-3-4-11)7-9-14-15-10(13-12)17-9/h8H,3,5-7,12H2,1-2H3,(H,13,15).
What are the key properties of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile?
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile has a molecular weight of 254.36 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 80614069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).