5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine

C17H25N5O — CID 112954244

IUPAC5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCCCCN(C)c1cnnc(NCCc2cccc(OC)c2)n1
InChIInChI=1S/C17H25N5O/c1-4-5-11-22(2)16-13-19-21-17(20-16)18-10-9-14-7-6-8-15(12-14)23-3/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,18,20,21)
InChIKeyITTZPCRYSOLDFC-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.77
Rot. Bonds9

About 5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine

5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine (PubChem CID 112954244) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine
PubChem CID112954244
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCCCCN(C)c1cnnc(NCCc2cccc(OC)c2)n1
InChIInChI=1S/C17H25N5O/c1-4-5-11-22(2)16-13-19-21-17(20-16)18-10-9-14-7-6-8-15(12-14)23-3/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,18,20,21)
InChIKeyITTZPCRYSOLDFC-UHFFFAOYSA-N
XLogP2.77
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-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-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939915
5-N-[2-(3-methoxyphenyl)ethyl]-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954114
N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941842
5-N-(2,6-diethylphenyl)-3-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954270
3-N-[2-(3-methoxyphenyl)ethyl]-5-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112954242
N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954228
4-N-butyl-2-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 112900564
4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916911
N-[2-(3-methoxyphenyl)ethyl]-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954235
5-N-(2-tert-butylphenyl)-3-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954272
5-N-butyl-3-N-(furan-2-ylmethyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112947400
5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954312

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine (CID 112954244) is 5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine is CCCCN(C)c1cnnc(NCCc2cccc(OC)c2)n1.
What is the InChIKey of 5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine?
The InChIKey is ITTZPCRYSOLDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-5-11-22(2)16-13-19-21-17(20-16)18-10-9-14-7-6-8-15(12-14)23-3/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,18,20,21).
What are the key properties of 5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine?
5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine has a molecular weight of 315.42 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112954244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).