3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine

C15H21N5 — CID 112938364

IUPAC3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1cnnc(NCCCc2ccccc2)n1
InChIInChI=1S/C15H21N5/c1-2-10-16-14-12-18-20-15(19-14)17-11-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3,(H2,16,17,19,20)
InChIKeyMEPNRMAXFYDMKL-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.74
Rot. Bonds8

About 3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine

3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine (PubChem CID 112938364) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine
PubChem CID112938364
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1cnnc(NCCCc2ccccc2)n1
InChIInChI=1S/C15H21N5/c1-2-10-16-14-12-18-20-15(19-14)17-11-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3,(H2,16,17,19,20)
InChIKeyMEPNRMAXFYDMKL-UHFFFAOYSA-N
XLogP2.74
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(3-methylbutyl)-3-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958548
3-N-[3-(dimethylamino)propyl]-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112945648
3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952784
5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938570
5-N-(3-phenylpropyl)-3-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952032
3-N-(1-phenylethyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112949082
3-N-(3,5-dimethylphenyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958457
5-N-(4-methoxyphenyl)-3-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958597
3-N-(2-methoxyethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112943506
3-N-(2,6-dichlorophenyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958531
3-N-[2-(3-chlorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938377
3-N-(2,6-difluorophenyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958542

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine (CID 112938364) is 3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine is CCCNc1cnnc(NCCCc2ccccc2)n1.
What is the InChIKey of 3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine?
The InChIKey is MEPNRMAXFYDMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-10-16-14-12-18-20-15(19-14)17-11-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3,(H2,16,17,19,20).
What are the key properties of 3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine?
3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).