4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C17H17N5O — CID 135512523

IUPAC4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCCOc1ccccc1C1N=C(N)Nc2nc3ccccc3n21
InChIInChI=1S/C17H17N5O/c1-2-23-14-10-6-3-7-11(14)15-20-16(18)21-17-19-12-8-4-5-9-13(12)22(15)17/h3-10,15H,2H2,1H3,(H3,18,19,20,21)
InChIKeyXVDQINZJJOGIQJ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.72
Rot. Bonds3

About 4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 135512523) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID135512523
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCCOc1ccccc1C1N=C(N)Nc2nc3ccccc3n21
InChIInChI=1S/C17H17N5O/c1-2-23-14-10-6-3-7-11(14)15-20-16(18)21-17-19-12-8-4-5-9-13(12)22(15)17/h3-10,15H,2H2,1H3,(H3,18,19,20,21)
InChIKeyXVDQINZJJOGIQJ-UHFFFAOYSA-N
XLogP2.72
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 135512523) is 4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is CCOc1ccccc1C1N=C(N)Nc2nc3ccccc3n21.
What is the InChIKey of 4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is XVDQINZJJOGIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-23-14-10-6-3-7-11(14)15-20-16(18)21-17-19-12-8-4-5-9-13(12)22(15)17/h3-10,15H,2H2,1H3,(H3,18,19,20,21).
What are the key properties of 4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 307.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 135512523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).