N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine

C13H14N6 — CID 106579677

IUPACN-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine
SMILESc1ccc(Nc2nccn2CCn2ccnn2)cc1
InChIInChI=1S/C13H14N6/c1-2-4-12(5-3-1)16-13-14-6-8-18(13)10-11-19-9-7-15-17-19/h1-9H,10-11H2,(H,14,16)
InChIKeyANWIQHRHILDVNR-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.92
Rot. Bonds5

About N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine

N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine (PubChem CID 106579677) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine
PubChem CID106579677
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC NameN-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine
SMILESc1ccc(Nc2nccn2CCn2ccnn2)cc1
InChIInChI=1S/C13H14N6/c1-2-4-12(5-3-1)16-13-14-6-8-18(13)10-11-19-9-7-15-17-19/h1-9H,10-11H2,(H,14,16)
InChIKeyANWIQHRHILDVNR-UHFFFAOYSA-N
XLogP1.92
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine (CID 106579677) is N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine is c1ccc(Nc2nccn2CCn2ccnn2)cc1.
What is the InChIKey of N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine?
The InChIKey is ANWIQHRHILDVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-2-4-12(5-3-1)16-13-14-6-8-18(13)10-11-19-9-7-15-17-19/h1-9H,10-11H2,(H,14,16).
What are the key properties of N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine?
N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine has a molecular weight of 254.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106579677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).