4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C11H9ClN6S — CID 107361056

IUPAC4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(-c2sccc2Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H9ClN6S/c1-13-10-15-9(8-7(12)3-6-19-8)16-11(17-10)18-5-2-4-14-18/h2-6H,1H3,(H,13,15,16,17)
InChIKeyZSWLGXHUHUFBAS-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.48
Rot. Bonds3

About 4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 107361056) has the molecular formula C11H9ClN6S and a molecular weight of 292.76 g/mol. Its IUPAC name is 4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID107361056
Molecular FormulaC11H9ClN6S
Molecular Weight292.76 g/mol
Exact Mass292.03
IUPAC Name4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(-c2sccc2Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H9ClN6S/c1-13-10-15-9(8-7(12)3-6-19-8)16-11(17-10)18-5-2-4-14-18/h2-6H,1H3,(H,13,15,16,17)
InChIKeyZSWLGXHUHUFBAS-UHFFFAOYSA-N
XLogP2.48
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 107361056) is 4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CNc1nc(-c2sccc2Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ZSWLGXHUHUFBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6S/c1-13-10-15-9(8-7(12)3-6-19-8)16-11(17-10)18-5-2-4-14-18/h2-6H,1H3,(H,13,15,16,17).
What are the key properties of 4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 292.76 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107361056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).