1-(1H-1,2,4-triazol-5-yl)indole

C10H8N4 — CID 167408371

IUPAC1-(1H-1,2,4-triazol-5-yl)indole
SMILESc1ccc2c(c1)ccn2-c1ncn[nH]1
InChIInChI=1S/C10H8N4/c1-2-4-9-8(3-1)5-6-14(9)10-11-7-12-13-10/h1-7H,(H,11,12,13)
InChIKeyOVYOQLYSLLHPME-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.75
Rot. Bonds1

About 1-(1H-1,2,4-triazol-5-yl)indole

1-(1H-1,2,4-triazol-5-yl)indole (PubChem CID 167408371) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)indole.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)indole
PubChem CID167408371
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name1-(1H-1,2,4-triazol-5-yl)indole
SMILESc1ccc2c(c1)ccn2-c1ncn[nH]1
InChIInChI=1S/C10H8N4/c1-2-4-9-8(3-1)5-6-14(9)10-11-7-12-13-10/h1-7H,(H,11,12,13)
InChIKeyOVYOQLYSLLHPME-UHFFFAOYSA-N
XLogP1.75
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)indole?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)indole (CID 167408371) is 1-(1H-1,2,4-triazol-5-yl)indole.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)indole?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)indole is c1ccc2c(c1)ccn2-c1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)indole?
The InChIKey is OVYOQLYSLLHPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-4-9-8(3-1)5-6-14(9)10-11-7-12-13-10/h1-7H,(H,11,12,13).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)indole?
1-(1H-1,2,4-triazol-5-yl)indole has a molecular weight of 184.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)indole is sourced from PubChem (CID 167408371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).