5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C13H8ClN5 — CID 156775627

IUPAC5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1nccc2nnc(-c3ccc4cc[nH]c4c3)n12
InChIInChI=1S/C13H8ClN5/c14-13-16-6-4-11-17-18-12(19(11)13)9-2-1-8-3-5-15-10(8)7-9/h1-7,15H
InChIKeyKMLUETYGRCFWNR-UHFFFAOYSA-N
MW269.69 g/mol
LogP2.93
Rot. Bonds1

About 5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 156775627) has the molecular formula C13H8ClN5 and a molecular weight of 269.69 g/mol. Its IUPAC name is 5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID156775627
Molecular FormulaC13H8ClN5
Molecular Weight269.69 g/mol
Exact Mass269.05
IUPAC Name5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1nccc2nnc(-c3ccc4cc[nH]c4c3)n12
InChIInChI=1S/C13H8ClN5/c14-13-16-6-4-11-17-18-12(19(11)13)9-2-1-8-3-5-15-10(8)7-9/h1-7,15H
InChIKeyKMLUETYGRCFWNR-UHFFFAOYSA-N
XLogP2.93
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 156775627) is 5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is Clc1nccc2nnc(-c3ccc4cc[nH]c4c3)n12.
What is the InChIKey of 5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is KMLUETYGRCFWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5/c14-13-16-6-4-11-17-18-12(19(11)13)9-2-1-8-3-5-15-10(8)7-9/h1-7,15H.
What are the key properties of 5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 269.69 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1H-indol-6-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 156775627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).