N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C10H15N7O2 — CID 80860019

IUPACN-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCCOC)nc(-n2cncn2)n1
InChIInChI=1S/C10H15N7O2/c1-3-12-8-14-9(17-7-11-6-13-17)16-10(15-8)19-5-4-18-2/h6-7H,3-5H2,1-2H3,(H,12,14,15,16)
InChIKeyOAABUJXJNFQYQY-UHFFFAOYSA-N
MW265.28 g/mol
LogP-0.09
Rot. Bonds7

About N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80860019) has the molecular formula C10H15N7O2 and a molecular weight of 265.28 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80860019
Molecular FormulaC10H15N7O2
Molecular Weight265.28 g/mol
Exact Mass265.13
IUPAC NameN-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCCOC)nc(-n2cncn2)n1
InChIInChI=1S/C10H15N7O2/c1-3-12-8-14-9(17-7-11-6-13-17)16-10(15-8)19-5-4-18-2/h6-7H,3-5H2,1-2H3,(H,12,14,15,16)
InChIKeyOAABUJXJNFQYQY-UHFFFAOYSA-N
XLogP-0.09
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702
N-ethyl-4-(3-methylbutoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80858159
4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861941
2-N-(2-methoxyethyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765193
4-hexoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861914
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680
4-(3-methylbut-3-enoxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 114471227
4-N-ethyl-2-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 104767007
2-chloro-4-(3-methoxypropoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 55124429
4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83025136
N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80877046
4-hydrazinyl-N-(3-methoxypropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80942901

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80860019) is N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(OCCOC)nc(-n2cncn2)n1.
What is the InChIKey of N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is OAABUJXJNFQYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2/c1-3-12-8-14-9(17-7-11-6-13-17)16-10(15-8)19-5-4-18-2/h6-7H,3-5H2,1-2H3,(H,12,14,15,16).
What are the key properties of N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 265.28 g/mol, XLogP of -0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80860019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).