5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine

C12H16N4O — CID 115038882

IUPAC5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine
SMILESCOc1cccc(C(C)(C)c2nc(N)n[nH]2)c1
InChIInChI=1S/C12H16N4O/c1-12(2,10-14-11(13)16-15-10)8-5-4-6-9(7-8)17-3/h4-7H,1-3H3,(H3,13,14,15,16)
InChIKeyUEXIBJAFESVTGJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.72
Rot. Bonds3

About 5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine

5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 115038882) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine
PubChem CID115038882
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine
SMILESCOc1cccc(C(C)(C)c2nc(N)n[nH]2)c1
InChIInChI=1S/C12H16N4O/c1-12(2,10-14-11(13)16-15-10)8-5-4-6-9(7-8)17-3/h4-7H,1-3H3,(H3,13,14,15,16)
InChIKeyUEXIBJAFESVTGJ-UHFFFAOYSA-N
XLogP1.72
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-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

1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
5-(2-amino-4-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 115412365
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine
CID 163596213
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite
CID 150215237
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine (CID 115038882) is 5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine is COc1cccc(C(C)(C)c2nc(N)n[nH]2)c1.
What is the InChIKey of 5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is UEXIBJAFESVTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2,10-14-11(13)16-15-10)8-5-4-6-9(7-8)17-3/h4-7H,1-3H3,(H3,13,14,15,16).
What are the key properties of 5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine?
5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 232.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 115038882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).