5-(thian-4-yl)-1,2,4-triazin-3-amine

C8H12N4S — CID 105450174

IUPAC5-(thian-4-yl)-1,2,4-triazin-3-amine
SMILESNc1nncc(C2CCSCC2)n1
InChIInChI=1S/C8H12N4S/c9-8-11-7(5-10-12-8)6-1-3-13-4-2-6/h5-6H,1-4H2,(H2,9,11,12)
InChIKeyHNKKQZQIQUJUOR-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.06
Rot. Bonds1

About 5-(thian-4-yl)-1,2,4-triazin-3-amine

5-(thian-4-yl)-1,2,4-triazin-3-amine (PubChem CID 105450174) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 5-(thian-4-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(thian-4-yl)-1,2,4-triazin-3-amine
PubChem CID105450174
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name5-(thian-4-yl)-1,2,4-triazin-3-amine
SMILESNc1nncc(C2CCSCC2)n1
InChIInChI=1S/C8H12N4S/c9-8-11-7(5-10-12-8)6-1-3-13-4-2-6/h5-6H,1-4H2,(H2,9,11,12)
InChIKeyHNKKQZQIQUJUOR-UHFFFAOYSA-N
XLogP1.06
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(thian-4-yl)pyridazine-3,4-diamine
CID 117105164
5-(thian-4-yl)-2H-1,2,4-triazin-3-one
CID 105450795
5-(thian-4-yl)-1H-1,2,4-triazol-3-amine
CID 115016759
5-(thian-4-yl)-1,3-oxazol-2-amine
CID 115016732
2-methoxy-6-(thian-4-yl)pyridin-3-amine
CID 115034695
5-bromo-2-(thian-4-yl)pyridine
CID 155970460
5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 66584856
[5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine
CID 105448142
2-(thian-4-yl)imidazo[1,2-a]pyridin-7-amine
CID 117133650
6-(thian-4-ylmethyl)pyridazin-4-amine
CID 117105435
2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 117103504
5-cyclopentyl-1,2,4-triazine-3-carbaldehyde
CID 105436864

Frequently Asked Questions

What is the IUPAC name of 5-(thian-4-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(thian-4-yl)-1,2,4-triazin-3-amine (CID 105450174) is 5-(thian-4-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(thian-4-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(thian-4-yl)-1,2,4-triazin-3-amine is Nc1nncc(C2CCSCC2)n1.
What is the InChIKey of 5-(thian-4-yl)-1,2,4-triazin-3-amine?
The InChIKey is HNKKQZQIQUJUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c9-8-11-7(5-10-12-8)6-1-3-13-4-2-6/h5-6H,1-4H2,(H2,9,11,12).
What are the key properties of 5-(thian-4-yl)-1,2,4-triazin-3-amine?
5-(thian-4-yl)-1,2,4-triazin-3-amine has a molecular weight of 196.28 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thian-4-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105450174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).