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

C19H21N5 — CID 112952784

IUPAC3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESc1ccc(CCNc2cnnc(NCCc3ccccc3)n2)cc1
InChIInChI=1S/C19H21N5/c1-3-7-16(8-4-1)11-13-20-18-15-22-24-19(23-18)21-14-12-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,20,21,23,24)
InChIKeyWUHQUGQVJJCEGL-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.18
Rot. Bonds8

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

3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112952784) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112952784
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESc1ccc(CCNc2cnnc(NCCc3ccccc3)n2)cc1
InChIInChI=1S/C19H21N5/c1-3-7-16(8-4-1)11-13-20-18-15-22-24-19(23-18)21-14-12-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,20,21,23,24)
InChIKeyWUHQUGQVJJCEGL-UHFFFAOYSA-N
XLogP3.18
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952800
3-N-(2-methoxyethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112943506
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952828
3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938729
3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938364
5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112947185
3-N-(1-phenylethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949051
5-N-(3-methylbutyl)-3-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958548
5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112942216
3-N-[3-(dimethylamino)propyl]-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112945648
3-N-[2-(3-chlorophenyl)ethyl]-5-N-[2-(4-chlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112956119
3-N-(2,6-diethylphenyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952852

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine (CID 112952784) is 3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine is c1ccc(CCNc2cnnc(NCCc3ccccc3)n2)cc1.
What is the InChIKey of 3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is WUHQUGQVJJCEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-7-16(8-4-1)11-13-20-18-15-22-24-19(23-18)21-14-12-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,20,21,23,24).
What are the key properties of 3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112952784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).