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

C6H5N5S — CID 82409665

IUPAC5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2cncs2)n1
InChIInChI=1S/C6H5N5S/c7-6-10-4(1-9-11-6)5-2-8-3-12-5/h1-3H,(H2,7,10,11)
InChIKeyDVHUTGRLTAVCQK-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.58
Rot. Bonds1

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

5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine (PubChem CID 82409665) has the molecular formula C6H5N5S and a molecular weight of 179.21 g/mol. Its IUPAC name is 5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine
PubChem CID82409665
Molecular FormulaC6H5N5S
Molecular Weight179.21 g/mol
Exact Mass179.03
IUPAC Name5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2cncs2)n1
InChIInChI=1S/C6H5N5S/c7-6-10-4(1-9-11-6)5-2-8-3-12-5/h1-3H,(H2,7,10,11)
InChIKeyDVHUTGRLTAVCQK-UHFFFAOYSA-N
XLogP0.58
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine (CID 82409665) is 5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine is Nc1nncc(-c2cncs2)n1.
What is the InChIKey of 5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine?
The InChIKey is DVHUTGRLTAVCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5S/c7-6-10-4(1-9-11-6)5-2-8-3-12-5/h1-3H,(H2,7,10,11).
What are the key properties of 5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine?
5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine has a molecular weight of 179.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 82409665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).