4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H18N6O2 — CID 80861779

IUPAC4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCCOCCOc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N6O2/c1-2-3-7-19-8-9-20-12-16-10(13)15-11(17-12)18-6-4-5-14-18/h4-6H,2-3,7-9H2,1H3,(H2,13,15,16,17)
InChIKeyUCFAYIQTXSFQGD-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.83
Rot. Bonds8

About 4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80861779) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80861779
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCCOCCOc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N6O2/c1-2-3-7-19-8-9-20-12-16-10(13)15-11(17-12)18-6-4-5-14-18/h4-6H,2-3,7-9H2,1H3,(H2,13,15,16,17)
InChIKeyUCFAYIQTXSFQGD-UHFFFAOYSA-N
XLogP0.83
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-heptoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80862326
4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865388
4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80861399
4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865516
2-chloro-4-[2-(3-methoxypropoxy)ethoxy]-6-pyrazol-1-yl-1,3,5-triazine
CID 103177489
N-ethyl-4-(2-propoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879870
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-pyrazol-1-yl-1,3,5-triazine
CID 104561391
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036
4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176493
4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80860065
4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853858
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80861779) is 4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCCCOCCOc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is UCFAYIQTXSFQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-2-3-7-19-8-9-20-12-16-10(13)15-11(17-12)18-6-4-5-14-18/h4-6H,2-3,7-9H2,1H3,(H2,13,15,16,17).
What are the key properties of 4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 278.32 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).