4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine

C14H20N6O — CID 80911422

IUPAC4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2cccc(C(C)C)c2)n1
InChIInChI=1S/C14H20N6O/c1-4-21-14-18-12(17-13(19-14)20-15)16-11-7-5-6-10(8-11)9(2)3/h5-9H,4,15H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyCODOAUUNJZTNKO-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.42
Rot. Bonds6

About 4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine

4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine (PubChem CID 80911422) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine
PubChem CID80911422
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2cccc(C(C)C)c2)n1
InChIInChI=1S/C14H20N6O/c1-4-21-14-18-12(17-13(19-14)20-15)16-11-7-5-6-10(8-11)9(2)3/h5-9H,4,15H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyCODOAUUNJZTNKO-UHFFFAOYSA-N
XLogP2.42
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.42
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

3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80927875
N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905492
N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80901413
N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931014
4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 80906443
2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine
CID 63671137
4-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80928587
N-(3-ethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80927507
2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80911513
2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80760425
4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114254280

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine (CID 80911422) is 4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(Nc2cccc(C(C)C)c2)n1.
What is the InChIKey of 4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is CODOAUUNJZTNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-4-21-14-18-12(17-13(19-14)20-15)16-11-7-5-6-10(8-11)9(2)3/h5-9H,4,15H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 288.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80911422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).