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

C9H13Cl2N5 — CID 81035335

IUPAC3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
SMILESCN1CCCC(Nc2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C9H13Cl2N5/c1-16-4-2-3-6(5-16)12-8-7(10)14-15-9(11)13-8/h6H,2-5H2,1H3,(H,12,13,15)
InChIKeyRGBNNGRHWSWHOZ-UHFFFAOYSA-N
MW262.14 g/mol
LogP1.68
Rot. Bonds2

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

3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine (PubChem CID 81035335) has the molecular formula C9H13Cl2N5 and a molecular weight of 262.14 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
PubChem CID81035335
Molecular FormulaC9H13Cl2N5
Molecular Weight262.14 g/mol
Exact Mass261.05
IUPAC Name3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
SMILESCN1CCCC(Nc2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C9H13Cl2N5/c1-16-4-2-3-6(5-16)12-8-7(10)14-15-9(11)13-8/h6H,2-5H2,1H3,(H,12,13,15)
InChIKeyRGBNNGRHWSWHOZ-UHFFFAOYSA-N
XLogP1.68
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine
CID 81035319
3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine
CID 81035942
4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine
CID 177370165
6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine
CID 176918022
2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 79081840
5-chloro-3-fluoro-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 79728337
4-chloro-N-(1-methylpiperidin-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 62864239
2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine
CID 62477526
3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81036366
4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80776311
4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine
CID 176963716
2-methyl-N-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730955

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine (CID 81035335) is 3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine is CN1CCCC(Nc2nc(Cl)nnc2Cl)C1.
What is the InChIKey of 3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine?
The InChIKey is RGBNNGRHWSWHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N5/c1-16-4-2-3-6(5-16)12-8-7(10)14-15-9(11)13-8/h6H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine has a molecular weight of 262.14 g/mol, XLogP of 1.68, 2 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)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).