5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine

C13H14N6 — CID 67064306

IUPAC5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine
SMILESNc1ncc(C(Cc2ccccc2)c2cn[nH]n2)[nH]1
InChIInChI=1S/C13H14N6/c14-13-15-7-11(17-13)10(12-8-16-19-18-12)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H3,14,15,17)(H,16,18,19)
InChIKeySHPDGENWWFURCB-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.48
Rot. Bonds4

About 5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine

5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine (PubChem CID 67064306) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine
PubChem CID67064306
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine
SMILESNc1ncc(C(Cc2ccccc2)c2cn[nH]n2)[nH]1
InChIInChI=1S/C13H14N6/c14-13-15-7-11(17-13)10(12-8-16-19-18-12)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H3,14,15,17)(H,16,18,19)
InChIKeySHPDGENWWFURCB-UHFFFAOYSA-N
XLogP1.48
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine (CID 67064306) is 5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine is Nc1ncc(C(Cc2ccccc2)c2cn[nH]n2)[nH]1.
What is the InChIKey of 5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine?
The InChIKey is SHPDGENWWFURCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-13-15-7-11(17-13)10(12-8-16-19-18-12)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H3,14,15,17)(H,16,18,19).
What are the key properties of 5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine?
5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine has a molecular weight of 254.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-phenyl-1-(2H-triazol-4-yl)ethyl]-1H-imidazol-2-amine is sourced from PubChem (CID 67064306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).