3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine

C10H15Cl2N5 — CID 81035942

IUPAC3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine
SMILESCN1CCCC(CNc2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C10H15Cl2N5/c1-17-4-2-3-7(6-17)5-13-9-8(11)15-16-10(12)14-9/h7H,2-6H2,1H3,(H,13,14,16)
InChIKeyLWIOHXDEGMGLFZ-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.93
Rot. Bonds3

About 3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine

3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine (PubChem CID 81035942) has the molecular formula C10H15Cl2N5 and a molecular weight of 276.17 g/mol. Its IUPAC name is 3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine
PubChem CID81035942
Molecular FormulaC10H15Cl2N5
Molecular Weight276.17 g/mol
Exact Mass275.07
IUPAC Name3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine
SMILESCN1CCCC(CNc2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C10H15Cl2N5/c1-17-4-2-3-7(6-17)5-13-9-8(11)15-16-10(12)14-9/h7H,2-6H2,1H3,(H,13,14,16)
InChIKeyLWIOHXDEGMGLFZ-UHFFFAOYSA-N
XLogP1.93
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine (CID 81035942) is 3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine is CN1CCCC(CNc2nc(Cl)nnc2Cl)C1.
What is the InChIKey of 3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine?
The InChIKey is LWIOHXDEGMGLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N5/c1-17-4-2-3-7(6-17)5-13-9-8(11)15-16-10(12)14-9/h7H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine?
3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine has a molecular weight of 276.17 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).