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

C11H16Cl2N4 — CID 103500970

IUPAC3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine
SMILESCC(C)C1CCN(c2nc(Cl)nnc2Cl)CC1
InChIInChI=1S/C11H16Cl2N4/c1-7(2)8-3-5-17(6-4-8)10-9(12)15-16-11(13)14-10/h7-8H,3-6H2,1-2H3
InChIKeyIUMUMDDQHHGKBN-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.05
Rot. Bonds2

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

3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine (PubChem CID 103500970) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine
PubChem CID103500970
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC Name3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine
SMILESCC(C)C1CCN(c2nc(Cl)nnc2Cl)CC1
InChIInChI=1S/C11H16Cl2N4/c1-7(2)8-3-5-17(6-4-8)10-9(12)15-16-11(13)14-10/h7-8H,3-6H2,1-2H3
InChIKeyIUMUMDDQHHGKBN-UHFFFAOYSA-N
XLogP3.05
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.05
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-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine (CID 103500970) is 3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine is CC(C)C1CCN(c2nc(Cl)nnc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine?
The InChIKey is IUMUMDDQHHGKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4/c1-7(2)8-3-5-17(6-4-8)10-9(12)15-16-11(13)14-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine?
3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine has a molecular weight of 275.18 g/mol, XLogP of 3.05, 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-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 103500970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).