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

C10H15Cl2N5 — CID 81036366

IUPAC3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
SMILESCN1CCCC(N(C)c2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C10H15Cl2N5/c1-16-5-3-4-7(6-16)17(2)9-8(11)14-15-10(12)13-9/h7H,3-6H2,1-2H3
InChIKeyGHTBSJFBRGXEDE-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.71
Rot. Bonds2

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

3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine (PubChem CID 81036366) has the molecular formula C10H15Cl2N5 and a molecular weight of 276.17 g/mol. Its IUPAC name is 3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
PubChem CID81036366
Molecular FormulaC10H15Cl2N5
Molecular Weight276.17 g/mol
Exact Mass275.07
IUPAC Name3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
SMILESCN1CCCC(N(C)c2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C10H15Cl2N5/c1-16-5-3-4-7(6-16)17(2)9-8(11)14-15-10(12)13-9/h7H,3-6H2,1-2H3
InChIKeyGHTBSJFBRGXEDE-UHFFFAOYSA-N
XLogP1.71
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine
CID 81037778
2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine
CID 62545795
6-chloro-N,5-dimethyl-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80971453
6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
CID 80971369
3,6-dichloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,4-triazin-5-amine
CID 81035919
6-chloro-N,5-dimethyl-N-(1-methylpiperidin-3-yl)-2-propylpyrimidin-4-amine
CID 80972660
6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-5-propylpyrimidin-4-amine
CID 63729519
5-chloro-4-[methyl-(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136971235
6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715838
[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80692409
3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81035335
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62547867

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine (CID 81036366) is 3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine is CN1CCCC(N(C)c2nc(Cl)nnc2Cl)C1.
What is the InChIKey of 3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine?
The InChIKey is GHTBSJFBRGXEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N5/c1-16-5-3-4-7(6-16)17(2)9-8(11)14-15-10(12)13-9/h7H,3-6H2,1-2H3.
What are the key properties of 3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine has a molecular weight of 276.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).