3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine

C16H23N5 — CID 112959814

IUPAC3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCCCCNc1cnnc(N(CC)c2ccccc2)n1
InChIInChI=1S/C16H23N5/c1-3-5-9-12-17-15-13-18-20-16(19-15)21(4-2)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H,17,19,20)
InChIKeyUZUPCGLFRNAIDH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.63
Rot. Bonds8

About 3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine

3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112959814) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112959814
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCCCCNc1cnnc(N(CC)c2ccccc2)n1
InChIInChI=1S/C16H23N5/c1-3-5-9-12-17-15-13-18-20-16(19-15)21(4-2)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H,17,19,20)
InChIKeyUZUPCGLFRNAIDH-UHFFFAOYSA-N
XLogP3.63
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112954374
4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955946
3-N-ethyl-5-N-(oxolan-2-ylmethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112944434
2-N-ethyl-2-N-phenyl-6-N-propylpyrazine-2,6-diamine
CID 80756431
3-chloro-N-pentyl-1,2,4-triazin-5-amine
CID 114999369
5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112964441
1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112964447
2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine
CID 112925381
5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938570
3-N-ethyl-5-N-[2-(4-methoxyphenoxy)ethyl]-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112958727
3-N-[(2-fluorophenyl)methyl]-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112949746
3-N-(2-bromophenyl)-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112959872

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112959814) is 3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine is CCCCCNc1cnnc(N(CC)c2ccccc2)n1.
What is the InChIKey of 3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is UZUPCGLFRNAIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-5-9-12-17-15-13-18-20-16(19-15)21(4-2)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H,17,19,20).
What are the key properties of 3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112959814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).