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

C10H20N6 — CID 559731

IUPAC5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)CCNc1nc(N)nnc1C
InChIInChI=1S/C10H20N6/c1-4-16(5-2)7-6-12-9-8(3)14-15-10(11)13-9/h4-7H2,1-3H3,(H3,11,12,13,15)
InChIKeyOVFMOHOUBSMKIY-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.52
Rot. Bonds6

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

5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine (PubChem CID 559731) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine
PubChem CID559731
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)CCNc1nc(N)nnc1C
InChIInChI=1S/C10H20N6/c1-4-16(5-2)7-6-12-9-8(3)14-15-10(11)13-9/h4-7H2,1-3H3,(H3,11,12,13,15)
InChIKeyOVFMOHOUBSMKIY-UHFFFAOYSA-N
XLogP0.52
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine (CID 559731) is 5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine is CCN(CC)CCNc1nc(N)nnc1C.
What is the InChIKey of 5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine?
The InChIKey is OVFMOHOUBSMKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-4-16(5-2)7-6-12-9-8(3)14-15-10(11)13-9/h4-7H2,1-3H3,(H3,11,12,13,15).
What are the key properties of 5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine?
5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine has a molecular weight of 224.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(diethylamino)ethyl]-6-methyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 559731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).