3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile

C8H14N6S — CID 62244391

IUPAC3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile
SMILESCCN(CCC#N)Cc1nnsc1NN
InChIInChI=1S/C8H14N6S/c1-2-14(5-3-4-9)6-7-8(11-10)15-13-12-7/h11H,2-3,5-6,10H2,1H3
InChIKeySUHJQFGHLYUIHR-UHFFFAOYSA-N
MW226.31 g/mol
LogP0.56
Rot. Bonds6

About 3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile

3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile (PubChem CID 62244391) has the molecular formula C8H14N6S and a molecular weight of 226.31 g/mol. Its IUPAC name is 3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile
PubChem CID62244391
Molecular FormulaC8H14N6S
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile
SMILESCCN(CCC#N)Cc1nnsc1NN
InChIInChI=1S/C8H14N6S/c1-2-14(5-3-4-9)6-7-8(11-10)15-13-12-7/h11H,2-3,5-6,10H2,1H3
InChIKeySUHJQFGHLYUIHR-UHFFFAOYSA-N
XLogP0.56
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 50.56
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

2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol
CID 62245305
N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine
CID 62244626
2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide
CID 62246445
2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol
CID 62245513
4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine
CID 62178759
2-[cyanomethyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetonitrile
CID 55046735
4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62184460
3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile
CID 80606201
3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol
CID 62245164
4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine
CID 62244219
1-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylpiperidin-4-amine
CID 62244769
3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-ethylamino]propanenitrile
CID 62890808

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile?
The IUPAC name of 3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile (CID 62244391) is 3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile?
The canonical SMILES for 3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile is CCN(CCC#N)Cc1nnsc1NN.
What is the InChIKey of 3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile?
The InChIKey is SUHJQFGHLYUIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6S/c1-2-14(5-3-4-9)6-7-8(11-10)15-13-12-7/h11H,2-3,5-6,10H2,1H3.
What are the key properties of 3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile?
3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile has a molecular weight of 226.31 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 62244391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).