(2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine

C10H12N4 — CID 94888605

IUPAC(2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESNC[C@H](c1ccccc1)c1ncn[nH]1
InChIInChI=1S/C10H12N4/c11-6-9(10-12-7-13-14-10)8-4-2-1-3-5-8/h1-5,7,9H,6,11H2,(H,12,13,14)/t9-/m1/s1
InChIKeyZXISAWXDZAGXHF-SECBINFHSA-N
MW188.23 g/mol
LogP0.90
Rot. Bonds3

About (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine

(2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 94888605) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID94888605
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name(2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESNC[C@H](c1ccccc1)c1ncn[nH]1
InChIInChI=1S/C10H12N4/c11-6-9(10-12-7-13-14-10)8-4-2-1-3-5-8/h1-5,7,9H,6,11H2,(H,12,13,14)/t9-/m1/s1
InChIKeyZXISAWXDZAGXHF-SECBINFHSA-N
XLogP0.90
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol
CID 40540193
[(4-phenylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230368
2-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 114167990
2-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 56973910
2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
CID 62878746
3-methyl-2-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butan-1-amine
CID 106281802
2-phenyl-2-(5-pyridin-2-yl-1H-imidazol-2-yl)ethanamine
CID 62878389
2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine
CID 114990789
2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 126824059
2-phenyl-2-(4-phenylphenyl)ethanamine
CID 44719858
(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362903
(S)-(4-chlorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 96995614

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine (CID 94888605) is (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine is NC[C@H](c1ccccc1)c1ncn[nH]1.
What is the InChIKey of (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is ZXISAWXDZAGXHF-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N4/c11-6-9(10-12-7-13-14-10)8-4-2-1-3-5-8/h1-5,7,9H,6,11H2,(H,12,13,14)/t9-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine?
(2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 188.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 94888605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).