2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C12H12ClN7S — CID 106042703

IUPAC2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCc2ccc(Cl)s2)nc(-n2cccn2)n1
InChIInChI=1S/C12H12ClN7S/c13-9-3-2-8(21-9)4-6-15-11-17-10(14)18-12(19-11)20-7-1-5-16-20/h1-3,5,7H,4,6H2,(H3,14,15,17,18,19)
InChIKeyKNGGVFQTJGSLRT-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.01
Rot. Bonds5

About 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 106042703) has the molecular formula C12H12ClN7S and a molecular weight of 321.80 g/mol. Its IUPAC name is 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID106042703
Molecular FormulaC12H12ClN7S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCc2ccc(Cl)s2)nc(-n2cccn2)n1
InChIInChI=1S/C12H12ClN7S/c13-9-3-2-8(21-9)4-6-15-11-17-10(14)18-12(19-11)20-7-1-5-16-20/h1-3,5,7H,4,6H2,(H3,14,15,17,18,19)
InChIKeyKNGGVFQTJGSLRT-UHFFFAOYSA-N
XLogP2.01
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80772450
2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106424400
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 114139975
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
2-N-[(5-methylfuran-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827784
6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80832241
6-pyrazol-1-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523062
2-[2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 80826375
2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80816586
2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80831923
6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80786209
3-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106040771

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 106042703) is 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(NCCc2ccc(Cl)s2)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is KNGGVFQTJGSLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN7S/c13-9-3-2-8(21-9)4-6-15-11-17-10(14)18-12(19-11)20-7-1-5-16-20/h1-3,5,7H,4,6H2,(H3,14,15,17,18,19).
What are the key properties of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 321.80 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106042703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).