N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine

C19H24N4OS — CID 100722866

IUPACN-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine
SMILESCOCCN(CCc1ccccc1)c1nnc(-c2ccc(C)s2)n1C
InChIInChI=1S/C19H24N4OS/c1-15-9-10-17(25-15)18-20-21-19(22(18)2)23(13-14-24-3)12-11-16-7-5-4-6-8-16/h4-10H,11-14H2,1-3H3
InChIKeyGGWRLROLJSWBRA-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.55
Rot. Bonds8

About N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine

N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine (PubChem CID 100722866) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine
PubChem CID100722866
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine
SMILESCOCCN(CCc1ccccc1)c1nnc(-c2ccc(C)s2)n1C
InChIInChI=1S/C19H24N4OS/c1-15-9-10-17(25-15)18-20-21-19(22(18)2)23(13-14-24-3)12-11-16-7-5-4-6-8-16/h4-10H,11-14H2,1-3H3
InChIKeyGGWRLROLJSWBRA-UHFFFAOYSA-N
XLogP3.55
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine (CID 100722866) is N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine is COCCN(CCc1ccccc1)c1nnc(-c2ccc(C)s2)n1C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine?
The InChIKey is GGWRLROLJSWBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-15-9-10-17(25-15)18-20-21-19(22(18)2)23(13-14-24-3)12-11-16-7-5-4-6-8-16/h4-10H,11-14H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine?
N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine has a molecular weight of 356.50 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 100722866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).