6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine

C7H13ClN6 — CID 118166269

IUPAC6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine
SMILESCNCCN(C)c1nnc(Cl)c(N)n1
InChIInChI=1S/C7H13ClN6/c1-10-3-4-14(2)7-11-6(9)5(8)12-13-7/h10H,3-4H2,1-2H3,(H2,9,11,13)
InChIKeyXMPABYPFUKGGSH-UHFFFAOYSA-N
MW216.68 g/mol
LogP-0.24
Rot. Bonds4

About 6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine

6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine (PubChem CID 118166269) has the molecular formula C7H13ClN6 and a molecular weight of 216.68 g/mol. Its IUPAC name is 6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine
PubChem CID118166269
Molecular FormulaC7H13ClN6
Molecular Weight216.68 g/mol
Exact Mass216.09
IUPAC Name6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine
SMILESCNCCN(C)c1nnc(Cl)c(N)n1
InChIInChI=1S/C7H13ClN6/c1-10-3-4-14(2)7-11-6(9)5(8)12-13-7/h10H,3-4H2,1-2H3,(H2,9,11,13)
InChIKeyXMPABYPFUKGGSH-UHFFFAOYSA-N
XLogP-0.24
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine (CID 118166269) is 6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine is CNCCN(C)c1nnc(Cl)c(N)n1.
What is the InChIKey of 6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is XMPABYPFUKGGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN6/c1-10-3-4-14(2)7-11-6(9)5(8)12-13-7/h10H,3-4H2,1-2H3,(H2,9,11,13).
What are the key properties of 6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine?
6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 216.68 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-N-methyl-3-N-[2-(methylamino)ethyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 118166269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).