5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine

C15H16N6 — CID 76639738

IUPAC5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
SMILESNc1ncc(Cc2cn(CC=Cc3ccccc3)nn2)[nH]1
InChIInChI=1S/C15H16N6/c16-15-17-10-13(18-15)9-14-11-21(20-19-14)8-4-7-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H3,16,17,18)
InChIKeyZCIULHQDLWUQNJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.89
Rot. Bonds5

About 5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine

5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine (PubChem CID 76639738) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
PubChem CID76639738
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
SMILESNc1ncc(Cc2cn(CC=Cc3ccccc3)nn2)[nH]1
InChIInChI=1S/C15H16N6/c16-15-17-10-13(18-15)9-14-11-21(20-19-14)8-4-7-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H3,16,17,18)
InChIKeyZCIULHQDLWUQNJ-UHFFFAOYSA-N
XLogP1.89
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;phenylmethanamine;5-prop-2-ynyl-1H-imidazol-2-amine;dihydrochloride
CID 161072713
5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
CID 58264394
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one
CID 58264426
2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine
CID 178184391
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane
CID 143882920
1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 74226153
4-[(E)-3-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-2-methylprop-1-enyl]benzaldehyde
CID 53359660
N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine
CID 155896567
1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole
CID 139191570
(E)-4-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]but-3-en-2-one
CID 157139624
5-(5-phenylpentyl)-1H-imidazol-2-amine
CID 46848173
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 54155520

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine (CID 76639738) is 5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine is Nc1ncc(Cc2cn(CC=Cc3ccccc3)nn2)[nH]1.
What is the InChIKey of 5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine?
The InChIKey is ZCIULHQDLWUQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-15-17-10-13(18-15)9-14-11-21(20-19-14)8-4-7-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H3,16,17,18).
What are the key properties of 5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine?
5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine has a molecular weight of 280.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 76639738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).