1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane

C13H22N4 — CID 12969619

IUPAC1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane
SMILESCCN1CN(CC)CN(Cc2ccccn2)C1
InChIInChI=1S/C13H22N4/c1-3-15-10-16(4-2)12-17(11-15)9-13-7-5-6-8-14-13/h5-8H,3-4,9-12H2,1-2H3
InChIKeyJVGXKHZEKMYBDM-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.41
Rot. Bonds4

About 1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane

1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane (PubChem CID 12969619) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane.

Molecular Properties

Compound Name1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane
PubChem CID12969619
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane
SMILESCCN1CN(CC)CN(Cc2ccccn2)C1
InChIInChI=1S/C13H22N4/c1-3-15-10-16(4-2)12-17(11-15)9-13-7-5-6-8-14-13/h5-8H,3-4,9-12H2,1-2H3
InChIKeyJVGXKHZEKMYBDM-UHFFFAOYSA-N
XLogP1.41
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
(5aR,8aR)-4-ethyl-7-(pyridin-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 124830922
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
5-cyclopropyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185554
1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134055422
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449549

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane?
The IUPAC name of 1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane (CID 12969619) is 1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane.
What is the SMILES notation for 1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane?
The canonical SMILES for 1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane is CCN1CN(CC)CN(Cc2ccccn2)C1.
What is the InChIKey of 1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane?
The InChIKey is JVGXKHZEKMYBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-15-10-16(4-2)12-17(11-15)9-13-7-5-6-8-14-13/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane?
1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane has a molecular weight of 234.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane is sourced from PubChem (CID 12969619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).