3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine

C19H21N5O2 — CID 6625323

IUPAC3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCOc1ccc(Nc2cnnc(Nc3ccc(OCC)cc3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-25-16-9-5-14(6-10-16)21-18-13-20-24-19(23-18)22-15-7-11-17(12-8-15)26-4-2/h5-13H,3-4H2,1-2H3,(H2,21,22,23,24)
InChIKeyXSGUMQQIDJGCHO-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.16
Rot. Bonds8

About 3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine

3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 6625323) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID6625323
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCOc1ccc(Nc2cnnc(Nc3ccc(OCC)cc3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-25-16-9-5-14(6-10-16)21-18-13-20-24-19(23-18)22-15-7-11-17(12-8-15)26-4-2/h5-13H,3-4H2,1-2H3,(H2,21,22,23,24)
InChIKeyXSGUMQQIDJGCHO-UHFFFAOYSA-N
XLogP4.16
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine (CID 6625323) is 3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine is CCOc1ccc(Nc2cnnc(Nc3ccc(OCC)cc3)n2)cc1.
What is the InChIKey of 3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is XSGUMQQIDJGCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-25-16-9-5-14(6-10-16)21-18-13-20-24-19(23-18)22-15-7-11-17(12-8-15)26-4-2/h5-13H,3-4H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine?
3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 351.41 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 6625323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).