4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one

C7H12N4O — CID 18334362

IUPAC4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one
SMILESCCNc1nc(C)n(C)c(=O)n1
InChIInChI=1S/C7H12N4O/c1-4-8-6-9-5(2)11(3)7(12)10-6/h4H2,1-3H3,(H,8,10,12)
InChIKeyITZKXULAZKSIAK-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.08
Rot. Bonds2

About 4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one

4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one (PubChem CID 18334362) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one
PubChem CID18334362
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one
SMILESCCNc1nc(C)n(C)c(=O)n1
InChIInChI=1S/C7H12N4O/c1-4-8-6-9-5(2)11(3)7(12)10-6/h4H2,1-3H3,(H,8,10,12)
InChIKeyITZKXULAZKSIAK-UHFFFAOYSA-N
XLogP-0.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide
CID 12539665
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one
CID 20563442
2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 18374883
6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 155981016
N,4-diethyl-6-methyl-1,3,5-triazin-2-amine
CID 21337127
N-ethyl-1,2,5-trimethylimidazole-4-carboxamide
CID 21334868
N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide
CID 14509141
6-(3,4-dihydroxyphenyl)-4-(2-ethylhydrazinyl)-1-methyl-1,3,5-triazin-2-one
CID 135960394
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one?
The IUPAC name of 4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one (CID 18334362) is 4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one?
The canonical SMILES for 4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one is CCNc1nc(C)n(C)c(=O)n1.
What is the InChIKey of 4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one?
The InChIKey is ITZKXULAZKSIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4-8-6-9-5(2)11(3)7(12)10-6/h4H2,1-3H3,(H,8,10,12).
What are the key properties of 4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one?
4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one is sourced from PubChem (CID 18334362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).