2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole

C16H14N4 — CID 62709741

IUPAC2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESc1ccc(-n2cnnc2C2Cc3ccccc3N2)cc1
InChIInChI=1S/C16H14N4/c1-2-7-13(8-3-1)20-11-17-19-16(20)15-10-12-6-4-5-9-14(12)18-15/h1-9,11,15,18H,10H2
InChIKeyKZAJXOQQLTVOBX-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.98
Rot. Bonds2

About 2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole

2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (PubChem CID 62709741) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
PubChem CID62709741
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESc1ccc(-n2cnnc2C2Cc3ccccc3N2)cc1
InChIInChI=1S/C16H14N4/c1-2-7-13(8-3-1)20-11-17-19-16(20)15-10-12-6-4-5-9-14(12)18-15/h1-9,11,15,18H,10H2
InChIKeyKZAJXOQQLTVOBX-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (CID 62709741) is 2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is c1ccc(-n2cnnc2C2Cc3ccccc3N2)cc1.
What is the InChIKey of 2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The InChIKey is KZAJXOQQLTVOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-7-13(8-3-1)20-11-17-19-16(20)15-10-12-6-4-5-9-14(12)18-15/h1-9,11,15,18H,10H2.
What are the key properties of 2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole has a molecular weight of 262.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 62709741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).