6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole

C15H12ClN5 — CID 167944483

IUPAC6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole
SMILESClc1ncccc1-n1cc(-c2ccc3c(c2)NCC3)nn1
InChIInChI=1S/C15H12ClN5/c16-15-14(2-1-6-18-15)21-9-13(19-20-21)11-4-3-10-5-7-17-12(10)8-11/h1-4,6,8-9,17H,5,7H2
InChIKeySFDVCBMOFFVRSI-UHFFFAOYSA-N
MW297.75 g/mol
LogP2.95
Rot. Bonds2

About 6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole

6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole (PubChem CID 167944483) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole
PubChem CID167944483
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole
SMILESClc1ncccc1-n1cc(-c2ccc3c(c2)NCC3)nn1
InChIInChI=1S/C15H12ClN5/c16-15-14(2-1-6-18-15)21-9-13(19-20-21)11-4-3-10-5-7-17-12(10)8-11/h1-4,6,8-9,17H,5,7H2
InChIKeySFDVCBMOFFVRSI-UHFFFAOYSA-N
XLogP2.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-amino-3-(2,3-dihydro-1H-indol-3-yl)propyl]-6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-amine
CID 23646975
Azidoepibatidine
CID 44299190
5-[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]triazol-1-yl]-1H-indole
CID 122180574
2-[[1-(2-Chlorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141756420
2-[[1-(4-Chlorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141756424
3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole
CID 24789338
2-(1-(3-Chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-4-ylmethyl)benzenamine
CID 44157074
2-(1-(4-chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-4-ylmethyl)aniline
CID 44564574
2-(1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-4-ylmethyl)aniline
CID 44565142
2-[[1-(3-Chlorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 155556936
2-[[1-(2-Chloro-3-pyridinyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141756430
US11725010, Example 154
CID 156442158

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole?
The IUPAC name of 6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole (CID 167944483) is 6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for 6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole is Clc1ncccc1-n1cc(-c2ccc3c(c2)NCC3)nn1.
What is the InChIKey of 6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole?
The InChIKey is SFDVCBMOFFVRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c16-15-14(2-1-6-18-15)21-9-13(19-20-21)11-4-3-10-5-7-17-12(10)8-11/h1-4,6,8-9,17H,5,7H2.
What are the key properties of 6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole?
6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole has a molecular weight of 297.75 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 167944483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).