4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C12H20N8O — CID 80786405

IUPAC4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCOCCN(CC(C)C)c1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C12H20N8O/c1-9(2)6-19(4-5-21-3)11-16-10(13)17-12(18-11)20-8-14-7-15-20/h7-9H,4-6H2,1-3H3,(H2,13,16,17,18)
InChIKeyYUWKNOFRCLUWEA-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.14
Rot. Bonds7

About 4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80786405) has the molecular formula C12H20N8O and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80786405
Molecular FormulaC12H20N8O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCOCCN(CC(C)C)c1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C12H20N8O/c1-9(2)6-19(4-5-21-3)11-16-10(13)17-12(18-11)20-8-14-7-15-20/h7-9H,4-6H2,1-3H3,(H2,13,16,17,18)
InChIKeyYUWKNOFRCLUWEA-UHFFFAOYSA-N
XLogP0.14
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-ethylamino]-2-methylpropanenitrile
CID 80806479
4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774894
2-N-(3-methoxy-2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80816652
4-N-(cyclopropylmethyl)-4-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80821216
2-N-[2-(dimethylamino)-2-methylpropyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80812261
1-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835940
4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853858
2-N-(4-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80784608
2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80766436
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80751432
4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864601
2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 80787377

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80786405) is 4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is COCCN(CC(C)C)c1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YUWKNOFRCLUWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8O/c1-9(2)6-19(4-5-21-3)11-16-10(13)17-12(18-11)20-8-14-7-15-20/h7-9H,4-6H2,1-3H3,(H2,13,16,17,18).
What are the key properties of 4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 292.35 g/mol, XLogP of 0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80786405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).