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

C11H15N5 — CID 104902564

IUPAC5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc([C@H](N)Cc2ccccc2)nc1N
InChIInChI=1S/C11H15N5/c1-16-11(13)14-10(15-16)9(12)7-8-5-3-2-4-6-8/h2-6,9H,7,12H2,1H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyIKOQAOJVDGBGHY-SECBINFHSA-N
MW217.28 g/mol
LogP0.64
Rot. Bonds3

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

5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104902564) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID104902564
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc([C@H](N)Cc2ccccc2)nc1N
InChIInChI=1S/C11H15N5/c1-16-11(13)14-10(15-16)9(12)7-8-5-3-2-4-6-8/h2-6,9H,7,12H2,1H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyIKOQAOJVDGBGHY-SECBINFHSA-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

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Related Compounds

4-[2-amino-2-(5-amino-1-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diol
CID 113432049
5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine
CID 84682985
(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 97288693
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 62733943
1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949
(1S)-1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylethanamine
CID 97288632
ethyl 2-(5-amino-1-methyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)acetate
CID 104605814
(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
CID 104943240
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104941515
5-[(1S)-1-amino-2-phenylethyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 104902560
1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine
CID 114553831

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine (CID 104902564) is 5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine is Cn1nc([C@H](N)Cc2ccccc2)nc1N.
What is the InChIKey of 5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is IKOQAOJVDGBGHY-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N5/c1-16-11(13)14-10(15-16)9(12)7-8-5-3-2-4-6-8/h2-6,9H,7,12H2,1H3,(H2,13,14,15)/t9-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine?
5-[(1R)-1-amino-2-phenylethyl]-2-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-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104902564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).