7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane

C21H31N5 — CID 18459724

IUPAC7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane
SMILESCCN1CCN(c2ccc(C)cn2)CC(C)N(c2ccc(C)cn2)CC1
InChIInChI=1S/C21H31N5/c1-5-24-10-12-25(20-8-6-17(2)14-22-20)16-19(4)26(13-11-24)21-9-7-18(3)15-23-21/h6-9,14-15,19H,5,10-13,16H2,1-4H3
InChIKeyUOEGJKVENRKUMV-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.13
Rot. Bonds3

About 7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane

7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane (PubChem CID 18459724) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane.

Molecular Properties

Compound Name7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane
PubChem CID18459724
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane
SMILESCCN1CCN(c2ccc(C)cn2)CC(C)N(c2ccc(C)cn2)CC1
InChIInChI=1S/C21H31N5/c1-5-24-10-12-25(20-8-6-17(2)14-22-20)16-19(4)26(13-11-24)21-9-7-18(3)15-23-21/h6-9,14-15,19H,5,10-13,16H2,1-4H3
InChIKeyUOEGJKVENRKUMV-UHFFFAOYSA-N
XLogP3.13
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane?
The IUPAC name of 7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane (CID 18459724) is 7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane.
What is the SMILES notation for 7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane?
The canonical SMILES for 7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane is CCN1CCN(c2ccc(C)cn2)CC(C)N(c2ccc(C)cn2)CC1.
What is the InChIKey of 7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane?
The InChIKey is UOEGJKVENRKUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-5-24-10-12-25(20-8-6-17(2)14-22-20)16-19(4)26(13-11-24)21-9-7-18(3)15-23-21/h6-9,14-15,19H,5,10-13,16H2,1-4H3.
What are the key properties of 7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane?
7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane has a molecular weight of 353.51 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane is sourced from PubChem (CID 18459724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).