4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H18N6O — CID 80865516

IUPAC4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCCOc1nc(NCC)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N6O/c1-3-5-9-19-12-16-10(13-4-2)15-11(17-12)18-8-6-7-14-18/h6-8H,3-5,9H2,1-2H3,(H,13,15,16,17)
InChIKeyTYCFZBIHGKDGBC-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.67
Rot. Bonds7

About 4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80865516) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80865516
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCCOc1nc(NCC)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N6O/c1-3-5-9-19-12-16-10(13-4-2)15-11(17-12)18-8-6-7-14-18/h6-8H,3-5,9H2,1-2H3,(H,13,15,16,17)
InChIKeyTYCFZBIHGKDGBC-UHFFFAOYSA-N
XLogP1.67
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(2-propoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879870
4-[3-(dimethylamino)propoxy]-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879429
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702
N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80882821
N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80844530
4-[(E)-but-2-enoxy]-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80873212
4-heptoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80862326
4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80861779
2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774484
2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80865516) is 4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCCCOc1nc(NCC)nc(-n2cccn2)n1.
What is the InChIKey of 4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is TYCFZBIHGKDGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-5-9-19-12-16-10(13-4-2)15-11(17-12)18-8-6-7-14-18/h6-8H,3-5,9H2,1-2H3,(H,13,15,16,17).
What are the key properties of 4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80865516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).