N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H18N6O — CID 102989434

IUPACN-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCC(C)Oc1nc(NC)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N6O/c1-4-6-9(2)19-12-16-10(13-3)15-11(17-12)18-8-5-7-14-18/h5,7-9H,4,6H2,1-3H3,(H,13,15,16,17)
InChIKeyUKXQYVVBYLZQQA-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.67
Rot. Bonds6

About N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine

N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 102989434) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID102989434
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCC(C)Oc1nc(NC)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N6O/c1-4-6-9(2)19-12-16-10(13-3)15-11(17-12)18-8-5-7-14-18/h5,7-9H,4,6H2,1-3H3,(H,13,15,16,17)
InChIKeyUKXQYVVBYLZQQA-UHFFFAOYSA-N
XLogP1.67
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
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

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Related Compounds

N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80859552
N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877549
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036
4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989481
N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80844530
N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80882821
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
2-N,4-N-dimethyl-4-N-(2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80776677
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779408
4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80860065
N-methyl-4-(2-methylpropylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892844
4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106207686

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 102989434) is N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCCC(C)Oc1nc(NC)nc(-n2cccn2)n1.
What is the InChIKey of N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is UKXQYVVBYLZQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-6-9(2)19-12-16-10(13-3)15-11(17-12)18-8-5-7-14-18/h5,7-9H,4,6H2,1-3H3,(H,13,15,16,17).
What are the key properties of N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 102989434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).