3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine

C10H14Cl2N4 — CID 13073043

IUPAC3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine
SMILESCCC1CCCCN1c1nc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N4/c1-2-7-5-3-4-6-16(7)9-8(11)14-15-10(12)13-9/h7H,2-6H2,1H3
InChIKeyLJXABQQAXBYLTH-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.95
Rot. Bonds2

About 3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine

3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine (PubChem CID 13073043) has the molecular formula C10H14Cl2N4 and a molecular weight of 261.16 g/mol. Its IUPAC name is 3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine
PubChem CID13073043
Molecular FormulaC10H14Cl2N4
Molecular Weight261.16 g/mol
Exact Mass260.06
IUPAC Name3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine
SMILESCCC1CCCCN1c1nc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N4/c1-2-7-5-3-4-6-16(7)9-8(11)14-15-10(12)13-9/h7H,2-6H2,1H3
InChIKeyLJXABQQAXBYLTH-UHFFFAOYSA-N
XLogP2.95
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine (CID 13073043) is 3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine is CCC1CCCCN1c1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine?
The InChIKey is LJXABQQAXBYLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4/c1-2-7-5-3-4-6-16(7)9-8(11)14-15-10(12)13-9/h7H,2-6H2,1H3.
What are the key properties of 3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine?
3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine has a molecular weight of 261.16 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 13073043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).