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

C10H8ClN7S — CID 107361022

IUPAC4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(-c2sccc2Cl)nc(-n2cncn2)n1
InChIInChI=1S/C10H8ClN7S/c1-12-9-15-8(7-6(11)2-3-19-7)16-10(17-9)18-5-13-4-14-18/h2-5H,1H3,(H,12,15,16,17)
InChIKeyPPVVPOGAMPSRHY-UHFFFAOYSA-N
MW293.74 g/mol
LogP1.88
Rot. Bonds3

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

4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 107361022) has the molecular formula C10H8ClN7S and a molecular weight of 293.74 g/mol. Its IUPAC name is 4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID107361022
Molecular FormulaC10H8ClN7S
Molecular Weight293.74 g/mol
Exact Mass293.03
IUPAC Name4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(-c2sccc2Cl)nc(-n2cncn2)n1
InChIInChI=1S/C10H8ClN7S/c1-12-9-15-8(7-6(11)2-3-19-7)16-10(17-9)18-5-13-4-14-18/h2-5H,1H3,(H,12,15,16,17)
InChIKeyPPVVPOGAMPSRHY-UHFFFAOYSA-N
XLogP1.88
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107361056
4-(2-chloro-4-fluorophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 115505050
4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 115503709
4-[[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384082
N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80873050
N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80882673
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680
4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80840951
2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843254
4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80831390
4-(4-iodophenoxy)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80875114
4-N-methyl-2-N-pentyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80785739

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 107361022) is 4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CNc1nc(-c2sccc2Cl)nc(-n2cncn2)n1.
What is the InChIKey of 4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is PPVVPOGAMPSRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN7S/c1-12-9-15-8(7-6(11)2-3-19-7)16-10(17-9)18-5-13-4-14-18/h2-5H,1H3,(H,12,15,16,17).
What are the key properties of 4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 293.74 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 107361022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).