6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine

C10H16N8O — CID 80822860

IUPAC6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC(C)c2nncn2C)n1
InChIInChI=1S/C10H16N8O/c1-4-19-10-15-8(11)14-9(16-10)13-6(2)7-17-12-5-18(7)3/h5-6H,4H2,1-3H3,(H3,11,13,14,15,16)
InChIKeyWQTPOWNRRVRSRE-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.15
Rot. Bonds5

About 6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80822860) has the molecular formula C10H16N8O and a molecular weight of 264.29 g/mol. Its IUPAC name is 6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80822860
Molecular FormulaC10H16N8O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC(C)c2nncn2C)n1
InChIInChI=1S/C10H16N8O/c1-4-19-10-15-8(11)14-9(16-10)13-6(2)7-17-12-5-18(7)3/h5-6H,4H2,1-3H3,(H3,11,13,14,15,16)
InChIKeyWQTPOWNRRVRSRE-UHFFFAOYSA-N
XLogP0.15
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80822126
4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80902877
6-ethoxy-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780976
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80801788
6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63589349
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276448
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 112685187
6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine
CID 80801244
6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 104623322
4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine
CID 115974911

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80822860) is 6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NC(C)c2nncn2C)n1.
What is the InChIKey of 6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WQTPOWNRRVRSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8O/c1-4-19-10-15-8(11)14-9(16-10)13-6(2)7-17-12-5-18(7)3/h5-6H,4H2,1-3H3,(H3,11,13,14,15,16).
What are the key properties of 6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 264.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80822860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).