2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C12H20N8O — CID 80792439

IUPAC2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)COCC)nc(-n2cncn2)n1
InChIInChI=1S/C12H20N8O/c1-4-14-10-17-11(16-9(3)6-21-5-2)19-12(18-10)20-8-13-7-15-20/h7-9H,4-6H2,1-3H3,(H2,14,16,17,18,19)
InChIKeyDJAGXLJCHKIXFH-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.72
Rot. Bonds8

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

2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80792439) has the molecular formula C12H20N8O and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80792439
Molecular FormulaC12H20N8O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)COCC)nc(-n2cncn2)n1
InChIInChI=1S/C12H20N8O/c1-4-14-10-17-11(16-9(3)6-21-5-2)19-12(18-10)20-8-13-7-15-20/h7-9H,4-6H2,1-3H3,(H2,14,16,17,18,19)
InChIKeyDJAGXLJCHKIXFH-UHFFFAOYSA-N
XLogP0.72
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80792439) is 2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)COCC)nc(-n2cncn2)n1.
What is the InChIKey of 2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DJAGXLJCHKIXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8O/c1-4-14-10-17-11(16-9(3)6-21-5-2)19-12(18-10)20-8-13-7-15-20/h7-9H,4-6H2,1-3H3,(H2,14,16,17,18,19).
What are the key properties of 2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-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 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80792439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).