4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine

C12H18N6O2 — CID 62862475

IUPAC4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCCc2cn[nH]c2C)nc(OC)n1
InChIInChI=1S/C12H18N6O2/c1-8-9(7-14-18-8)5-4-6-13-10-15-11(19-2)17-12(16-10)20-3/h7H,4-6H2,1-3H3,(H,14,18)(H,13,15,16,17)
InChIKeySDCWKPITDUEMGG-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.97
Rot. Bonds7

About 4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine

4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine (PubChem CID 62862475) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine
PubChem CID62862475
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCCc2cn[nH]c2C)nc(OC)n1
InChIInChI=1S/C12H18N6O2/c1-8-9(7-14-18-8)5-4-6-13-10-15-11(19-2)17-12(16-10)20-3/h7H,4-6H2,1-3H3,(H,14,18)(H,13,15,16,17)
InChIKeySDCWKPITDUEMGG-UHFFFAOYSA-N
XLogP0.97
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine (CID 62862475) is 4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine is COc1nc(NCCCc2cn[nH]c2C)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine?
The InChIKey is SDCWKPITDUEMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-8-9(7-14-18-8)5-4-6-13-10-15-11(19-2)17-12(16-10)20-3/h7H,4-6H2,1-3H3,(H,14,18)(H,13,15,16,17).
What are the key properties of 4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine has a molecular weight of 278.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62862475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).