1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole

C15H15N5 — CID 44571890

IUPAC1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole
SMILESc1cc(Cn2ccnn2)c2c(c1)C(c1ncc[nH]1)CC2
InChIInChI=1S/C15H15N5/c1-2-11(10-20-9-8-18-19-20)12-4-5-14(13(12)3-1)15-16-6-7-17-15/h1-3,6-9,14H,4-5,10H2,(H,16,17)
InChIKeyNWOPXVBDDVLPJQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.13
Rot. Bonds3

About 1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole

1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole (PubChem CID 44571890) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole.

Molecular Properties

Compound Name1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole
PubChem CID44571890
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole
SMILESc1cc(Cn2ccnn2)c2c(c1)C(c1ncc[nH]1)CC2
InChIInChI=1S/C15H15N5/c1-2-11(10-20-9-8-18-19-20)12-4-5-14(13(12)3-1)15-16-6-7-17-15/h1-3,6-9,14H,4-5,10H2,(H,16,17)
InChIKeyNWOPXVBDDVLPJQ-UHFFFAOYSA-N
XLogP2.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole?
The IUPAC name of 1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole (CID 44571890) is 1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole.
What is the SMILES notation for 1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole?
The canonical SMILES for 1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole is c1cc(Cn2ccnn2)c2c(c1)C(c1ncc[nH]1)CC2.
What is the InChIKey of 1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole?
The InChIKey is NWOPXVBDDVLPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-11(10-20-9-8-18-19-20)12-4-5-14(13(12)3-1)15-16-6-7-17-15/h1-3,6-9,14H,4-5,10H2,(H,16,17).
What are the key properties of 1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole?
1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole has a molecular weight of 265.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole is sourced from PubChem (CID 44571890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).