6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione

C8H8N4S — CID 130626596

IUPAC6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione
SMILESCn1nncc1-c1cccc(=S)[nH]1
InChIInChI=1S/C8H8N4S/c1-12-7(5-9-11-12)6-3-2-4-8(13)10-6/h2-5H,1H3,(H,10,13)
InChIKeyPNAKYWDRYUHIPO-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.54
Rot. Bonds1

About 6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione

6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione (PubChem CID 130626596) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione
PubChem CID130626596
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione
SMILESCn1nncc1-c1cccc(=S)[nH]1
InChIInChI=1S/C8H8N4S/c1-12-7(5-9-11-12)6-3-2-4-8(13)10-6/h2-5H,1H3,(H,10,13)
InChIKeyPNAKYWDRYUHIPO-UHFFFAOYSA-N
XLogP1.54
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione?
The IUPAC name of 6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione (CID 130626596) is 6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione?
The canonical SMILES for 6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione is Cn1nncc1-c1cccc(=S)[nH]1.
What is the InChIKey of 6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione?
The InChIKey is PNAKYWDRYUHIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-12-7(5-9-11-12)6-3-2-4-8(13)10-6/h2-5H,1H3,(H,10,13).
What are the key properties of 6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione?
6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione has a molecular weight of 192.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyltriazol-4-yl)-1H-pyridine-2-thione is sourced from PubChem (CID 130626596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).