3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine

C8H10Cl2N4 — CID 13073038

IUPAC3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine
SMILESClc1nnc(Cl)c(N2CCCCC2)n1
InChIInChI=1S/C8H10Cl2N4/c9-6-7(11-8(10)13-12-6)14-4-2-1-3-5-14/h1-5H2
InChIKeyQPTWWYQGYXHLSG-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.17
Rot. Bonds1

About 3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine

3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine (PubChem CID 13073038) has the molecular formula C8H10Cl2N4 and a molecular weight of 233.10 g/mol. Its IUPAC name is 3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine
PubChem CID13073038
Molecular FormulaC8H10Cl2N4
Molecular Weight233.10 g/mol
Exact Mass232.03
IUPAC Name3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine
SMILESClc1nnc(Cl)c(N2CCCCC2)n1
InChIInChI=1S/C8H10Cl2N4/c9-6-7(11-8(10)13-12-6)14-4-2-1-3-5-14/h1-5H2
InChIKeyQPTWWYQGYXHLSG-UHFFFAOYSA-N
XLogP2.17
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.17
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-piperidin-1-yl-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine (CID 13073038) is 3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine is Clc1nnc(Cl)c(N2CCCCC2)n1.
What is the InChIKey of 3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine?
The InChIKey is QPTWWYQGYXHLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4/c9-6-7(11-8(10)13-12-6)14-4-2-1-3-5-14/h1-5H2.
What are the key properties of 3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine?
3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine has a molecular weight of 233.10 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-piperidin-1-yl-1,2,4-triazine is sourced from PubChem (CID 13073038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).