N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine

C13H17ClN6O — CID 80901413

IUPACN-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H17ClN6O/c1-3-21-13-18-11(17-12(19-13)20-15)16-8(2)9-5-4-6-10(14)7-9/h4-8H,3,15H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyDLIONUPZAXEBBW-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.38
Rot. Bonds6

About N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine

N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine (PubChem CID 80901413) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
PubChem CID80901413
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H17ClN6O/c1-3-21-13-18-11(17-12(19-13)20-15)16-8(2)9-5-4-6-10(14)7-9/h4-8H,3,15H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyDLIONUPZAXEBBW-UHFFFAOYSA-N
XLogP2.38
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 80906443
4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 80901930
4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine
CID 80911422
6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80784415
N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905490
N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931014
2-N-[1-(2-chlorophenyl)ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80784410
3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 146673450
N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80896965
1-(3-chlorophenyl)-N-ethoxyethanamine
CID 78968845
2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80876394

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine (CID 80901413) is N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(NC(C)c2cccc(Cl)c2)n1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The InChIKey is DLIONUPZAXEBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-3-21-13-18-11(17-12(19-13)20-15)16-8(2)9-5-4-6-10(14)7-9/h4-8H,3,15H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80901413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).