6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H16N8 — CID 80840784

IUPAC6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(C)C)nc(-n2nnc3ccccc32)n1
InChIInChI=1S/C13H16N8/c1-4-14-11-15-12(20(2)3)17-13(16-11)21-10-8-6-5-7-9(10)18-19-21/h5-8H,4H2,1-3H3,(H,14,15,16,17)
InChIKeyMSHQFYUOKMEFMW-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.10
Rot. Bonds4

About 6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80840784) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80840784
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(C)C)nc(-n2nnc3ccccc32)n1
InChIInChI=1S/C13H16N8/c1-4-14-11-15-12(20(2)3)17-13(16-11)21-10-8-6-5-7-9(10)18-19-21/h5-8H,4H2,1-3H3,(H,14,15,16,17)
InChIKeyMSHQFYUOKMEFMW-UHFFFAOYSA-N
XLogP1.10
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62863325
4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
CID 1014695
[4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80901279
6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 80768818
4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 80853407
6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80868641
4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80854027
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 82752442
2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80805026
[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine
CID 107542354
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794784

Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80840784) is 6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(N(C)C)nc(-n2nnc3ccccc32)n1.
What is the InChIKey of 6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MSHQFYUOKMEFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-4-14-11-15-12(20(2)3)17-13(16-11)21-10-8-6-5-7-9(10)18-19-21/h5-8H,4H2,1-3H3,(H,14,15,16,17).
What are the key properties of 6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 284.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80840784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).