1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine

C12H12N6 — CID 79543265

IUPAC1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine
SMILESNc1cn(Cc2ccc(-n3ccnc3)cc2)nn1
InChIInChI=1S/C12H12N6/c13-12-8-18(16-15-12)7-10-1-3-11(4-2-10)17-6-5-14-9-17/h1-6,8-9H,7,13H2
InChIKeyBVFIHJQSEXSLDF-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.09
Rot. Bonds3

About 1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine

1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine (PubChem CID 79543265) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine
PubChem CID79543265
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine
SMILESNc1cn(Cc2ccc(-n3ccnc3)cc2)nn1
InChIInChI=1S/C12H12N6/c13-12-8-18(16-15-12)7-10-1-3-11(4-2-10)17-6-5-14-9-17/h1-6,8-9H,7,13H2
InChIKeyBVFIHJQSEXSLDF-UHFFFAOYSA-N
XLogP1.09
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[(4-imidazol-1-ylphenyl)methyl]aniline
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(4-imidazol-1-ylphenyl)methyl-methylazanium
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1-(4-prop-2-enylphenyl)imidazole
CID 55274314
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine?
The IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine (CID 79543265) is 1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine is Nc1cn(Cc2ccc(-n3ccnc3)cc2)nn1.
What is the InChIKey of 1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine?
The InChIKey is BVFIHJQSEXSLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c13-12-8-18(16-15-12)7-10-1-3-11(4-2-10)17-6-5-14-9-17/h1-6,8-9H,7,13H2.
What are the key properties of 1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine?
1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine has a molecular weight of 240.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine is sourced from PubChem (CID 79543265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).