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

C11H17N7O2 — CID 106378956

IUPAC4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NCc2ncc(CC)o2)n1
InChIInChI=1S/C11H17N7O2/c1-3-7-5-13-8(20-7)6-14-9-15-10(18-12)17-11(16-9)19-4-2/h5H,3-4,6,12H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyAOAUVVCTUVSNJL-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.72
Rot. Bonds7

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

4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine (PubChem CID 106378956) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine
PubChem CID106378956
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NCc2ncc(CC)o2)n1
InChIInChI=1S/C11H17N7O2/c1-3-7-5-13-8(20-7)6-14-9-15-10(18-12)17-11(16-9)19-4-2/h5H,3-4,6,12H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyAOAUVVCTUVSNJL-UHFFFAOYSA-N
XLogP0.72
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106378957
6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106378619
4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 106373482
6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114181096
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943283
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104918606
4-ethoxy-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114944805
4-ethoxy-6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80914033
4-ethoxy-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80897139
4-ethoxy-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 80896902

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine (CID 106378956) is 4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(NCc2ncc(CC)o2)n1.
What is the InChIKey of 4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine?
The InChIKey is AOAUVVCTUVSNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-3-7-5-13-8(20-7)6-14-9-15-10(18-12)17-11(16-9)19-4-2/h5H,3-4,6,12H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine?
4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine has a molecular weight of 279.30 g/mol, XLogP of 0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106378956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).