N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine

C14H20N4S — CID 64650109

IUPACN-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine
SMILESCCC(Sc1nncn1C)C(NC)c1ccccc1
InChIInChI=1S/C14H20N4S/c1-4-12(19-14-17-16-10-18(14)3)13(15-2)11-8-6-5-7-9-11/h5-10,12-13,15H,4H2,1-3H3
InChIKeyOGFINDHKXBWMRG-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.65
Rot. Bonds6

About N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine

N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine (PubChem CID 64650109) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine
PubChem CID64650109
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine
SMILESCCC(Sc1nncn1C)C(NC)c1ccccc1
InChIInChI=1S/C14H20N4S/c1-4-12(19-14-17-16-10-18(14)3)13(15-2)11-8-6-5-7-9-11/h5-10,12-13,15H,4H2,1-3H3
InChIKeyOGFINDHKXBWMRG-UHFFFAOYSA-N
XLogP2.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-[1-(methylamino)-1-phenylbutan-2-yl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64632173
(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-2-phenylbutyl]propanamide
CID 8509475
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropanenitrile
CID 64535790
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
CID 64650183
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,2-diphenylacetamide
CID 46658289
2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylbutan-1-amine
CID 64632583
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid
CID 7326586
N-[(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]benzenesulfonamide
CID 2402124
3-[1-(4-chlorophenyl)propylsulfanyl]-4-methyl-1,2,4-triazole
CID 60591920
4-chloro-N-[(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethyl]benzenesulfonamide
CID 2345300
3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328
1-(3,4-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64649527

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine?
The IUPAC name of N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine (CID 64650109) is N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine is CCC(Sc1nncn1C)C(NC)c1ccccc1.
What is the InChIKey of N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine?
The InChIKey is OGFINDHKXBWMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-12(19-14-17-16-10-18(14)3)13(15-2)11-8-6-5-7-9-11/h5-10,12-13,15H,4H2,1-3H3.
What are the key properties of N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine?
N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 64650109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).