5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine

C11H15N5 — CID 84682985

IUPAC5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(N)nc1[C@@H](N)Cc1ccccc1
InChIInChI=1S/C11H15N5/c1-16-10(14-11(13)15-16)9(12)7-8-5-3-2-4-6-8/h2-6,9H,7,12H2,1H3,(H2,13,15)/t9-/m0/s1
InChIKeyBSEBNDUHPLCAPQ-VIFPVBQESA-N
MW217.28 g/mol
LogP0.64
Rot. Bonds3

About 5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine

5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine (PubChem CID 84682985) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine
PubChem CID84682985
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(N)nc1[C@@H](N)Cc1ccccc1
InChIInChI=1S/C11H15N5/c1-16-10(14-11(13)15-16)9(12)7-8-5-3-2-4-6-8/h2-6,9H,7,12H2,1H3,(H2,13,15)/t9-/m0/s1
InChIKeyBSEBNDUHPLCAPQ-VIFPVBQESA-N
XLogP0.64
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(1S)-1-amino-2-phenylethyl]-1-methyl-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-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 62733943
5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine
CID 104902564
(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 97288693
5-[(1S)-1-amino-2-phenylethyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 104902560
1-(1-methylimidazo[1,5-a]pyridin-3-yl)-2-phenylethanamine
CID 82481285
1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 61378390
5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine
CID 84731228
1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949
1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine
CID 82331998
(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethanamine
CID 118950869
(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
CID 104943240
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine (CID 84682985) is 5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine is Cn1nc(N)nc1[C@@H](N)Cc1ccccc1.
What is the InChIKey of 5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine?
The InChIKey is BSEBNDUHPLCAPQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N5/c1-16-10(14-11(13)15-16)9(12)7-8-5-3-2-4-6-8/h2-6,9H,7,12H2,1H3,(H2,13,15)/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine?
5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine has a molecular weight of 217.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 84682985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).