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

C16H24N6 — CID 112944799

IUPAC5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1cccc(C)c1Nc1nncc(NCCN(C)C)n1
InChIInChI=1S/C16H24N6/c1-5-13-8-6-7-12(2)15(13)20-16-19-14(11-18-21-16)17-9-10-22(3)4/h6-8,11H,5,9-10H2,1-4H3,(H2,17,19,20,21)
InChIKeySTLAOQNZPZHMTM-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.46
Rot. Bonds7

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

5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112944799) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112944799
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1cccc(C)c1Nc1nncc(NCCN(C)C)n1
InChIInChI=1S/C16H24N6/c1-5-13-8-6-7-12(2)15(13)20-16-19-14(11-18-21-16)17-9-10-22(3)4/h6-8,11H,5,9-10H2,1-4H3,(H2,17,19,20,21)
InChIKeySTLAOQNZPZHMTM-UHFFFAOYSA-N
XLogP2.46
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(2-ethyl-6-methylphenyl)-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943386
3-N-(2-ethyl-6-methylphenyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939584
3-N-(2-ethyl-6-methylphenyl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961752
3-N-(2-ethyl-6-methylphenyl)-5-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954156
3-N-(2-ethyl-6-methylphenyl)-5-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964152
3-N-(2,6-diethylphenyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952852
3-N-(3,5-dimethylphenyl)-5-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963563
3-N-(2-ethyl-6-methylphenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112964591
5-N-[3-(dimethylamino)propyl]-3-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112945499
5-N-[3-(dimethylamino)propyl]-3-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112945423
3-N-(2,6-diethylphenyl)-5-N-[2-(2-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953938
3-N-(2,4-dimethylphenyl)-5-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963044

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 112944799) is 5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine is CCc1cccc(C)c1Nc1nncc(NCCN(C)C)n1.
What is the InChIKey of 5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is STLAOQNZPZHMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-5-13-8-6-7-12(2)15(13)20-16-19-14(11-18-21-16)17-9-10-22(3)4/h6-8,11H,5,9-10H2,1-4H3,(H2,17,19,20,21).
What are the key properties of 5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112944799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).