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

C7H5ClN4S — CID 43439221

IUPAC5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C7H5ClN4S/c8-6-2-1-5(13-6)4-3-10-12-7(9)11-4/h1-3H,(H2,9,11,12)
InChIKeyDQTBBVWROPNYFD-UHFFFAOYSA-N
MW212.67 g/mol
LogP1.84
Rot. Bonds1

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

5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine (PubChem CID 43439221) has the molecular formula C7H5ClN4S and a molecular weight of 212.67 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine
PubChem CID43439221
Molecular FormulaC7H5ClN4S
Molecular Weight212.67 g/mol
Exact Mass211.99
IUPAC Name5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C7H5ClN4S/c8-6-2-1-5(13-6)4-3-10-12-7(9)11-4/h1-3H,(H2,9,11,12)
InChIKeyDQTBBVWROPNYFD-UHFFFAOYSA-N
XLogP1.84
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.67
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine (CID 43439221) is 5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine is Nc1nncc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is DQTBBVWROPNYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4S/c8-6-2-1-5(13-6)4-3-10-12-7(9)11-4/h1-3H,(H2,9,11,12).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine?
5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 212.67 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 43439221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).