5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine

C15H21N5 — CID 112958215

IUPAC5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1ccc(Nc2nncc(N(CC)CC)n2)cc1
InChIInChI=1S/C15H21N5/c1-4-12-7-9-13(10-8-12)17-15-18-14(11-16-19-15)20(5-2)6-3/h7-11H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyCIWAEIGYRYZCAG-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.02
Rot. Bonds6

About 5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine

5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112958215) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112958215
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1ccc(Nc2nncc(N(CC)CC)n2)cc1
InChIInChI=1S/C15H21N5/c1-4-12-7-9-13(10-8-12)17-15-18-14(11-16-19-15)20(5-2)6-3/h7-11H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyCIWAEIGYRYZCAG-UHFFFAOYSA-N
XLogP3.02
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
ethyl 4-[[5-[benzyl(ethyl)amino]-1,2,4-triazin-3-yl]amino]benzoate
CID 112951672
1-[4-[[5-[benzyl(ethyl)amino]-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112951649
3-N-(4-chlorophenyl)-5-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964162
5-N-(4-bromophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964254
3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112947736
5-N-(3,5-dimethylphenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963476
5-(azepan-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-3-amine
CID 112961261
5-N,5-N-diethyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938959
3-N-(4-ethylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112964268
5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953783

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112958215) is 5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine is CCc1ccc(Nc2nncc(N(CC)CC)n2)cc1.
What is the InChIKey of 5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is CIWAEIGYRYZCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-12-7-9-13(10-8-12)17-15-18-14(11-16-19-15)20(5-2)6-3/h7-11H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of 5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine?
5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 271.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112958215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).