5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione

C6H14N6S — CID 90063894

IUPAC5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCN(C)CCN(N)c1nc(=S)[nH][nH]1
InChIInChI=1S/C6H14N6S/c1-11(2)3-4-12(7)5-8-6(13)10-9-5/h3-4,7H2,1-2H3,(H2,8,9,10,13)
InChIKeyPANVLJXFKSMVPP-UHFFFAOYSA-N
MW202.29 g/mol
LogP-0.29
Rot. Bonds4

About 5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione

5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 90063894) has the molecular formula C6H14N6S and a molecular weight of 202.29 g/mol. Its IUPAC name is 5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID90063894
Molecular FormulaC6H14N6S
Molecular Weight202.29 g/mol
Exact Mass202.10
IUPAC Name5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCN(C)CCN(N)c1nc(=S)[nH][nH]1
InChIInChI=1S/C6H14N6S/c1-11(2)3-4-12(7)5-8-6(13)10-9-5/h3-4,7H2,1-2H3,(H2,8,9,10,13)
InChIKeyPANVLJXFKSMVPP-UHFFFAOYSA-N
XLogP-0.29
TPSA76.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione (CID 90063894) is 5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione is CN(C)CCN(N)c1nc(=S)[nH][nH]1.
What is the InChIKey of 5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is PANVLJXFKSMVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N6S/c1-11(2)3-4-12(7)5-8-6(13)10-9-5/h3-4,7H2,1-2H3,(H2,8,9,10,13).
What are the key properties of 5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione?
5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 202.29 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 90063894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).