4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine

C10H13IN6O — CID 80868737

IUPAC4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(-n2cc(I)cn2)n1
InChIInChI=1S/C10H13IN6O/c1-3-12-8-14-9(16-10(15-8)18-4-2)17-6-7(11)5-13-17/h5-6H,3-4H2,1-2H3,(H,12,14,15,16)
InChIKeyYQEAZWSZFZSEAO-UHFFFAOYSA-N
MW360.16 g/mol
LogP1.49
Rot. Bonds5

About 4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine

4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80868737) has the molecular formula C10H13IN6O and a molecular weight of 360.16 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80868737
Molecular FormulaC10H13IN6O
Molecular Weight360.16 g/mol
Exact Mass360.02
IUPAC Name4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(-n2cc(I)cn2)n1
InChIInChI=1S/C10H13IN6O/c1-3-12-8-14-9(16-10(15-8)18-4-2)17-6-7(11)5-13-17/h5-6H,3-4H2,1-2H3,(H,12,14,15,16)
InChIKeyYQEAZWSZFZSEAO-UHFFFAOYSA-N
XLogP1.49
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine
CID 80857032
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107973
4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 103541981
4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865516
4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702
4-(3,5-dimethylpiperidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80766730
N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80860019
N-ethyl-4-(2-propoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879870
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680
N-ethyl-4-(3-methylbutoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80858159
4-[3-(dimethylamino)propoxy]-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879429

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine (CID 80868737) is 4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(-n2cc(I)cn2)n1.
What is the InChIKey of 4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is YQEAZWSZFZSEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN6O/c1-3-12-8-14-9(16-10(15-8)18-4-2)17-6-7(11)5-13-17/h5-6H,3-4H2,1-2H3,(H,12,14,15,16).
What are the key properties of 4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine?
4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 360.16 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).