5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine

C10H12N4 — CID 1089053

IUPAC5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(CCc2ccccc2)n1
InChIInChI=1S/C10H12N4/c11-10-12-9(13-14-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,13,14)
InChIKeyVGNXNFZVKIYJKE-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.17
Rot. Bonds3

About 5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine

5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine (PubChem CID 1089053) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine
PubChem CID1089053
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(CCc2ccccc2)n1
InChIInChI=1S/C10H12N4/c11-10-12-9(13-14-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,13,14)
InChIKeyVGNXNFZVKIYJKE-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-4H-1,2,4-triazol-3-amine
CID 95778
3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea
CID 222304
4-Amino-3,5-dibenzyl-1,2,4-triazole
CID 96265
Mls003115328
CID 318161
5-(4-fluorophenyl)-4H-1,2,4-triazol-3-amine
CID 652295
5-benzyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 2147143
5-(4-butylphenyl)-1H-1,2,4-triazol-3-amine
CID 2282389
5-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 747058
3-methyl-5-phenyl-1H-1,2,4-triazole
CID 594381
3-benzyl-4H-1,2,4-triazole
CID 594447
5-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 684580

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine (CID 1089053) is 5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(CCc2ccccc2)n1.
What is the InChIKey of 5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is VGNXNFZVKIYJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-10-12-9(13-14-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,13,14).
What are the key properties of 5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine?
5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 188.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 1089053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).