3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine

C17H24N4OS — CID 18224956

IUPAC3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine
SMILESCc1cc(OCCSc2nnc(C3CC3)n2N)ccc1C(C)C
InChIInChI=1S/C17H24N4OS/c1-11(2)15-7-6-14(10-12(15)3)22-8-9-23-17-20-19-16(21(17)18)13-4-5-13/h6-7,10-11,13H,4-5,8-9,18H2,1-3H3
InChIKeyQAISLYPIFUVRPY-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.47
Rot. Bonds7

About 3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine

3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 18224956) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID18224956
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine
SMILESCc1cc(OCCSc2nnc(C3CC3)n2N)ccc1C(C)C
InChIInChI=1S/C17H24N4OS/c1-11(2)15-7-6-14(10-12(15)3)22-8-9-23-17-20-19-16(21(17)18)13-4-5-13/h6-7,10-11,13H,4-5,8-9,18H2,1-3H3
InChIKeyQAISLYPIFUVRPY-UHFFFAOYSA-N
XLogP3.47
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-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

3-(2-methoxyphenyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 4790340
4-[4-(2-methoxyethyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 55317557
5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 43249759
2-(3-methyl-4-propan-2-ylphenoxy)ethyl N'-aminocarbamimidothioate
CID 77060725
3-[3-cyclopropyl-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]propanamide
CID 31040173
(3R,4R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidine-3,4-diamine
CID 166310179
4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene
CID 112815261
2-(3-methyl-4-propan-2-ylphenoxy)ethyl carbamimidothioate
CID 36521491
4-cyclohexyl-3-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-5-methyl-1,2,4-triazole
CID 21373727
3-cyclohexyl-4-ethyl-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazole
CID 21373909
3-[4-methyl-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]thiolane 1,1-dioxide
CID 51237315
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine (CID 18224956) is 3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine is Cc1cc(OCCSc2nnc(C3CC3)n2N)ccc1C(C)C.
What is the InChIKey of 3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is QAISLYPIFUVRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-11(2)15-7-6-14(10-12(15)3)22-8-9-23-17-20-19-16(21(17)18)13-4-5-13/h6-7,10-11,13H,4-5,8-9,18H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine?
3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 332.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 18224956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).