1H-indole;triazine

C11H10N4 — CID 90303592

IUPAC1H-indole;triazine
SMILESc1ccc2[nH]ccc2c1.c1cnnnc1
InChIInChI=1S/C8H7N.C3H3N3/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1/h1-6,9H;1-3H
InChIKeyFXVNLVNTOLJKBS-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.04
Rot. Bonds

About 1H-indole;triazine

1H-indole;triazine (PubChem CID 90303592) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1H-indole;triazine.

Molecular Properties

Compound Name1H-indole;triazine
PubChem CID90303592
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name1H-indole;triazine
SMILESc1ccc2[nH]ccc2c1.c1cnnnc1
InChIInChI=1S/C8H7N.C3H3N3/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1/h1-6,9H;1-3H
InChIKeyFXVNLVNTOLJKBS-UHFFFAOYSA-N
XLogP2.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;triazine?
The IUPAC name of 1H-indole;triazine (CID 90303592) is 1H-indole;triazine.
What is the SMILES notation for 1H-indole;triazine?
The canonical SMILES for 1H-indole;triazine is c1ccc2[nH]ccc2c1.c1cnnnc1.
What is the InChIKey of 1H-indole;triazine?
The InChIKey is FXVNLVNTOLJKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C3H3N3/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1/h1-6,9H;1-3H.
What are the key properties of 1H-indole;triazine?
1H-indole;triazine has a molecular weight of 198.23 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;triazine is sourced from PubChem (CID 90303592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).