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

C15H21N5 — CID 112940363

IUPAC3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1ccccc1Nc1nncc(NCC(C)C)n1
InChIInChI=1S/C15H21N5/c1-4-12-7-5-6-8-13(12)18-15-19-14(10-17-20-15)16-9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H2,16,18,19,20)
InChIKeyQLCTVCPRPXFSRA-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.25
Rot. Bonds6

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

3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112940363) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
PubChem CID112940363
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1ccccc1Nc1nncc(NCC(C)C)n1
InChIInChI=1S/C15H21N5/c1-4-12-7-5-6-8-13(12)18-15-19-14(10-17-20-15)16-9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H2,16,18,19,20)
InChIKeyQLCTVCPRPXFSRA-UHFFFAOYSA-N
XLogP3.25
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112950247
3-N-(2-ethylphenyl)-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953682
3-N-(2-ethylphenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954372
1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112964102
5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964133
5-N-[(2-chlorophenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940485
3-N-(2-ethylphenyl)-5-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964111
3-N-(2-ethyl-6-methylphenyl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961752
5-N-[(2-methoxyphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940487
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944614
5-N-(2-ethylphenyl)-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953811
3-N-(3-bromo-4-methylphenyl)-5-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964001

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine (CID 112940363) is 3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine is CCc1ccccc1Nc1nncc(NCC(C)C)n1.
What is the InChIKey of 3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is QLCTVCPRPXFSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-12-7-5-6-8-13(12)18-15-19-14(10-17-20-15)16-9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H2,16,18,19,20).
What are the key properties of 3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine?
3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 271.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112940363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).