1,3-diazinane;1,2,3,4-tetrahydropyridine

C9H19N3 — CID 67414164

IUPAC1,3-diazinane;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.C1CNCNC1
InChIInChI=1S/C5H9N.C4H10N2/c1-2-4-6-5-3-1;1-2-5-4-6-3-1/h2,4,6H,1,3,5H2;5-6H,1-4H2
InChIKeyYPMZPRUZUOQPCS-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.41
Rot. Bonds

About 1,3-diazinane;1,2,3,4-tetrahydropyridine

1,3-diazinane;1,2,3,4-tetrahydropyridine (PubChem CID 67414164) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,3-diazinane;1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name1,3-diazinane;1,2,3,4-tetrahydropyridine
PubChem CID67414164
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1,3-diazinane;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.C1CNCNC1
InChIInChI=1S/C5H9N.C4H10N2/c1-2-4-6-5-3-1;1-2-5-4-6-3-1/h2,4,6H,1,3,5H2;5-6H,1-4H2
InChIKeyYPMZPRUZUOQPCS-UHFFFAOYSA-N
XLogP0.41
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diazinane;1,2,3,4-tetrahydropyridine?
The IUPAC name of 1,3-diazinane;1,2,3,4-tetrahydropyridine (CID 67414164) is 1,3-diazinane;1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 1,3-diazinane;1,2,3,4-tetrahydropyridine?
The canonical SMILES for 1,3-diazinane;1,2,3,4-tetrahydropyridine is C1=CNCCC1.C1CNCNC1.
What is the InChIKey of 1,3-diazinane;1,2,3,4-tetrahydropyridine?
The InChIKey is YPMZPRUZUOQPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C4H10N2/c1-2-4-6-5-3-1;1-2-5-4-6-3-1/h2,4,6H,1,3,5H2;5-6H,1-4H2.
What are the key properties of 1,3-diazinane;1,2,3,4-tetrahydropyridine?
1,3-diazinane;1,2,3,4-tetrahydropyridine has a molecular weight of 169.27 g/mol, XLogP of 0.41, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane;1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 67414164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).