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

C16H14N4 — CID 114689574

IUPAC4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole
SMILESc1ccc(-n2nncc2-c2cccc3c2CCN3)cc1
InChIInChI=1S/C16H14N4/c1-2-5-12(6-3-1)20-16(11-18-19-20)14-7-4-8-15-13(14)9-10-17-15/h1-8,11,17H,9-10H2
InChIKeyBZEVUXJBJQCXBW-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.90
Rot. Bonds2

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

4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole (PubChem CID 114689574) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole
PubChem CID114689574
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole
SMILESc1ccc(-n2nncc2-c2cccc3c2CCN3)cc1
InChIInChI=1S/C16H14N4/c1-2-5-12(6-3-1)20-16(11-18-19-20)14-7-4-8-15-13(14)9-10-17-15/h1-8,11,17H,9-10H2
InChIKeyBZEVUXJBJQCXBW-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole (CID 114689574) is 4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole is c1ccc(-n2nncc2-c2cccc3c2CCN3)cc1.
What is the InChIKey of 4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is BZEVUXJBJQCXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-5-12(6-3-1)20-16(11-18-19-20)14-7-4-8-15-13(14)9-10-17-15/h1-8,11,17H,9-10H2.
What are the key properties of 4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole?
4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 262.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 114689574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).