2-(1,2,4-triazin-3-yl)-1H-indole

C11H8N4 — CID 150191533

IUPAC2-(1,2,4-triazin-3-yl)-1H-indole
SMILESc1ccc2[nH]c(-c3nccnn3)cc2c1
InChIInChI=1S/C11H8N4/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-15-11/h1-7,14H
InChIKeyFNNWJLPHSLNQNC-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.02
Rot. Bonds1

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

2-(1,2,4-triazin-3-yl)-1H-indole (PubChem CID 150191533) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(1,2,4-triazin-3-yl)-1H-indole.

Molecular Properties

Compound Name2-(1,2,4-triazin-3-yl)-1H-indole
PubChem CID150191533
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name2-(1,2,4-triazin-3-yl)-1H-indole
SMILESc1ccc2[nH]c(-c3nccnn3)cc2c1
InChIInChI=1S/C11H8N4/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-15-11/h1-7,14H
InChIKeyFNNWJLPHSLNQNC-UHFFFAOYSA-N
XLogP2.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 68890263
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2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
2-(1H-diazirin-3-yl)-1H-indole
CID 137250152
2-(1H-indol-2-yl)-1,3-oxazole
CID 67340234
2-(4-bromo-2-pyridinyl)-1H-indole
CID 152567330
2-(4-pyridin-3-ylphenyl)-1H-indole
CID 91518635
4-(1H-indol-2-yl)phenol
CID 11287260
2-pyridin-3-yl-1H-indole
CID 606677
2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole
CID 141030381
2-pyridin-3-yl-1H-indole;hydrochloride
CID 159150480
2-(1H-indol-2-yl)pyridine-4-carbaldehyde
CID 175866369

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazin-3-yl)-1H-indole?
The IUPAC name of 2-(1,2,4-triazin-3-yl)-1H-indole (CID 150191533) is 2-(1,2,4-triazin-3-yl)-1H-indole.
What is the SMILES notation for 2-(1,2,4-triazin-3-yl)-1H-indole?
The canonical SMILES for 2-(1,2,4-triazin-3-yl)-1H-indole is c1ccc2[nH]c(-c3nccnn3)cc2c1.
What is the InChIKey of 2-(1,2,4-triazin-3-yl)-1H-indole?
The InChIKey is FNNWJLPHSLNQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-15-11/h1-7,14H.
What are the key properties of 2-(1,2,4-triazin-3-yl)-1H-indole?
2-(1,2,4-triazin-3-yl)-1H-indole has a molecular weight of 196.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazin-3-yl)-1H-indole is sourced from PubChem (CID 150191533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).