3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine

C14H19N5 — CID 112947736

IUPAC3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1cnnc(NCc2ccccc2)n1
InChIInChI=1S/C14H19N5/c1-3-19(4-2)13-11-16-18-14(17-13)15-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,15,17,18)
InChIKeyGSZQXYPTSYNLCP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.33
Rot. Bonds6

About 3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine

3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine (PubChem CID 112947736) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
PubChem CID112947736
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1cnnc(NCc2ccccc2)n1
InChIInChI=1S/C14H19N5/c1-3-19(4-2)13-11-16-18-14(17-13)15-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,15,17,18)
InChIKeyGSZQXYPTSYNLCP-UHFFFAOYSA-N
XLogP2.33
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-benzyl-5-N,5-N-diethyl-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-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947355
5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112948446
5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953783
5-N-benzyl-5-N-ethyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951598
5-N-benzyl-3-N-(4-bromophenyl)-5-N-ethyl-1,2,4-triazine-3,5-diamine
CID 112951632
3-N-benzyl-5-N-[4-(diethylamino)-2-methylphenyl]-1,2,4-triazine-3,5-diamine
CID 112947851
5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112958215
5-N-benzyl-5-N-ethyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951614
5-N,5-N-diethyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938959
5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112950148
1-[4-[[5-[benzyl(ethyl)amino]-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112951649
5-N-benzyl-5-N-ethyl-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112951674

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine (CID 112947736) is 3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine is CCN(CC)c1cnnc(NCc2ccccc2)n1.
What is the InChIKey of 3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine?
The InChIKey is GSZQXYPTSYNLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-19(4-2)13-11-16-18-14(17-13)15-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,15,17,18).
What are the key properties of 3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine?
3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112947736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).