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

C10H14N6O — CID 80853036

IUPACN-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(-n2cccn2)n1
InChIInChI=1S/C10H14N6O/c1-3-7-17-10-14-8(11-2)13-9(15-10)16-6-4-5-12-16/h4-6H,3,7H2,1-2H3,(H,11,13,14,15)
InChIKeyFJSFMLCXHRKQCI-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.89
Rot. Bonds5

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

N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80853036) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80853036
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC NameN-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(-n2cccn2)n1
InChIInChI=1S/C10H14N6O/c1-3-7-17-10-14-8(11-2)13-9(15-10)16-6-4-5-12-16/h4-6H,3,7H2,1-2H3,(H,11,13,14,15)
InChIKeyFJSFMLCXHRKQCI-UHFFFAOYSA-N
XLogP0.89
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106207686
4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865516
N-ethyl-4-(2-propoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879870
N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102989434
N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80859552
4-[3-(dimethylamino)propoxy]-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879429
N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877549
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-hexoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861914
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80854145

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80853036) is N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(-n2cccn2)n1.
What is the InChIKey of N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is FJSFMLCXHRKQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-3-7-17-10-14-8(11-2)13-9(15-10)16-6-4-5-12-16/h4-6H,3,7H2,1-2H3,(H,11,13,14,15).
What are the key properties of N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 234.26 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80853036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).