3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile

C8H14N6S — CID 80614579

IUPAC3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)Cc1nnc(NN)s1
InChIInChI=1S/C8H14N6S/c1-6(3-9)4-14(2)5-7-12-13-8(11-10)15-7/h6H,4-5,10H2,1-2H3,(H,11,13)
InChIKeyINXZDSNYHNKJQV-UHFFFAOYSA-N
MW226.31 g/mol
LogP0.42
Rot. Bonds5

About 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile

3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile (PubChem CID 80614579) has the molecular formula C8H14N6S and a molecular weight of 226.31 g/mol. Its IUPAC name is 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile
PubChem CID80614579
Molecular FormulaC8H14N6S
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)Cc1nnc(NN)s1
InChIInChI=1S/C8H14N6S/c1-6(3-9)4-14(2)5-7-12-13-8(11-10)15-7/h6H,4-5,10H2,1-2H3,(H,11,13)
InChIKeyINXZDSNYHNKJQV-UHFFFAOYSA-N
XLogP0.42
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 50.42
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'}

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Related Compounds

3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile
CID 79765526
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
CID 80614289
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile
CID 80614069
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81073772
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide
CID 106918004
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112664466
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112664455
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 80614574
1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
CID 80613669
3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile
CID 62183188
N-(cyclopropylmethyl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]propan-2-amine
CID 80613367
5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 55212482

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile (CID 80614579) is 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile is CC(C#N)CN(C)Cc1nnc(NN)s1.
What is the InChIKey of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile?
The InChIKey is INXZDSNYHNKJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6S/c1-6(3-9)4-14(2)5-7-12-13-8(11-10)15-7/h6H,4-5,10H2,1-2H3,(H,11,13).
What are the key properties of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile?
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile has a molecular weight of 226.31 g/mol, XLogP of 0.42, 5 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-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 80614579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).