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

C10H16N8 — CID 114690853

IUPAC4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(-c2cnnn2C)nc(N(C)C)n1
InChIInChI=1S/C10H16N8/c1-5-11-9-13-8(7-6-12-16-18(7)4)14-10(15-9)17(2)3/h6H,5H2,1-4H3,(H,11,13,14,15)
InChIKeyVVGWBSHJKZRFCF-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.16
Rot. Bonds4

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

4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 114690853) has the molecular formula C10H16N8 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID114690853
Molecular FormulaC10H16N8
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(-c2cnnn2C)nc(N(C)C)n1
InChIInChI=1S/C10H16N8/c1-5-11-9-13-8(7-6-12-16-18(7)4)14-10(15-9)17(2)3/h6H,5H2,1-4H3,(H,11,13,14,15)
InChIKeyVVGWBSHJKZRFCF-UHFFFAOYSA-N
XLogP0.16
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 114690907
2-N,2-N,4-N-trimethyl-6-(3-propyltriazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 114691086
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
4-N-ethyl-6-(3-fluoro-2-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 115503066
4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 115502738
N-ethyl-3-methyltriazol-4-amine
CID 130486129
6-N-ethyl-2-N,4-N,4-N-trimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
CID 80792076
6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 80768818
4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 79738059
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776969
1-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80848223
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80771087

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine (CID 114690853) is 4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine is CCNc1nc(-c2cnnn2C)nc(N(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VVGWBSHJKZRFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8/c1-5-11-9-13-8(7-6-12-16-18(7)4)14-10(15-9)17(2)3/h6H,5H2,1-4H3,(H,11,13,14,15).
What are the key properties of 4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 248.29 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114690853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).