N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine

C15H22N4OS — CID 74243618

IUPACN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine
SMILESCOCCn1cnnc1CN(C)Cc1cccc(SC)c1
InChIInChI=1S/C15H22N4OS/c1-18(10-13-5-4-6-14(9-13)21-3)11-15-17-16-12-19(15)7-8-20-2/h4-6,9,12H,7-8,10-11H2,1-3H3
InChIKeyCPDWTHXGOJQUBY-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.28
Rot. Bonds8

About N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine (PubChem CID 74243618) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine
PubChem CID74243618
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine
SMILESCOCCn1cnnc1CN(C)Cc1cccc(SC)c1
InChIInChI=1S/C15H22N4OS/c1-18(10-13-5-4-6-14(9-13)21-3)11-15-17-16-12-19(15)7-8-20-2/h4-6,9,12H,7-8,10-11H2,1-3H3
InChIKeyCPDWTHXGOJQUBY-UHFFFAOYSA-N
XLogP2.28
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine with MolForge

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Related Compounds

1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine
CID 131902585
3-[(3-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300974
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide
CID 134706763
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine
CID 146042550
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
3-[(4-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393752
N-methyl-1-(3-methylsulfanylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135098764
4-(2-methoxyethyl)-3-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole
CID 47095203
1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine
CID 131915472
1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
CID 72916109

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine?
The IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine (CID 74243618) is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine is COCCn1cnnc1CN(C)Cc1cccc(SC)c1.
What is the InChIKey of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine?
The InChIKey is CPDWTHXGOJQUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-18(10-13-5-4-6-14(9-13)21-3)11-15-17-16-12-19(15)7-8-20-2/h4-6,9,12H,7-8,10-11H2,1-3H3.
What are the key properties of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine?
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine has a molecular weight of 306.44 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 74243618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).