2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C18H12N6 — CID 135637531

IUPAC2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc2c(-c3nc4nccc(-c5ccncc5)n4n3)c[nH]c2c1
InChIInChI=1S/C18H12N6/c1-2-4-15-13(3-1)14(11-21-15)17-22-18-20-10-7-16(24(18)23-17)12-5-8-19-9-6-12/h1-11,21H
InChIKeyWZFXWHHSQRTPDS-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.33
Rot. Bonds2

About 2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 135637531) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID135637531
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc2c(-c3nc4nccc(-c5ccncc5)n4n3)c[nH]c2c1
InChIInChI=1S/C18H12N6/c1-2-4-15-13(3-1)14(11-21-15)17-22-18-20-10-7-16(24(18)23-17)12-5-8-19-9-6-12/h1-11,21H
InChIKeyWZFXWHHSQRTPDS-UHFFFAOYSA-N
XLogP3.33
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 135637531) is 2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc2c(-c3nc4nccc(-c5ccncc5)n4n3)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WZFXWHHSQRTPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c1-2-4-15-13(3-1)14(11-21-15)17-22-18-20-10-7-16(24(18)23-17)12-5-8-19-9-6-12/h1-11,21H.
What are the key properties of 2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 312.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135637531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).