1H-indole;1,4,7-triazonane

C14H22N4 — CID 158488040

IUPAC1H-indole;1,4,7-triazonane
SMILESC1CNCCNCCN1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C6H15N3/c1-2-4-8-7(3-1)5-6-9-8;1-2-8-5-6-9-4-3-7-1/h1-6,9H;7-9H,1-6H2
InChIKeyHIIQBASGFBSFSK-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.94
Rot. Bonds

About 1H-indole;1,4,7-triazonane

1H-indole;1,4,7-triazonane (PubChem CID 158488040) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1H-indole;1,4,7-triazonane.

Molecular Properties

Compound Name1H-indole;1,4,7-triazonane
PubChem CID158488040
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1H-indole;1,4,7-triazonane
SMILESC1CNCCNCCN1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C6H15N3/c1-2-4-8-7(3-1)5-6-9-8;1-2-8-5-6-9-4-3-7-1/h1-6,9H;7-9H,1-6H2
InChIKeyHIIQBASGFBSFSK-UHFFFAOYSA-N
XLogP0.94
TPSA51.88 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;1,4,7-triazonane?
The IUPAC name of 1H-indole;1,4,7-triazonane (CID 158488040) is 1H-indole;1,4,7-triazonane.
What is the SMILES notation for 1H-indole;1,4,7-triazonane?
The canonical SMILES for 1H-indole;1,4,7-triazonane is C1CNCCNCCN1.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;1,4,7-triazonane?
The InChIKey is HIIQBASGFBSFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C6H15N3/c1-2-4-8-7(3-1)5-6-9-8;1-2-8-5-6-9-4-3-7-1/h1-6,9H;7-9H,1-6H2.
What are the key properties of 1H-indole;1,4,7-triazonane?
1H-indole;1,4,7-triazonane has a molecular weight of 246.36 g/mol, XLogP of 0.94, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;1,4,7-triazonane is sourced from PubChem (CID 158488040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).