N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine

C12H16N4O — CID 116793108

IUPACN-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
SMILESCNCc1cnc(Oc2cnn(C)c2)c(C)c1
InChIInChI=1S/C12H16N4O/c1-9-4-10(5-13-2)6-14-12(9)17-11-7-15-16(3)8-11/h4,6-8,13H,5H2,1-3H3
InChIKeyISPWNFGYKAOYIR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.64
Rot. Bonds4

About N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine

N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine (PubChem CID 116793108) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
PubChem CID116793108
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
SMILESCNCc1cnc(Oc2cnn(C)c2)c(C)c1
InChIInChI=1S/C12H16N4O/c1-9-4-10(5-13-2)6-14-12(9)17-11-7-15-16(3)8-11/h4,6-8,13H,5H2,1-3H3
InChIKeyISPWNFGYKAOYIR-UHFFFAOYSA-N
XLogP1.64
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine (CID 116793108) is N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine is CNCc1cnc(Oc2cnn(C)c2)c(C)c1.
What is the InChIKey of N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine?
The InChIKey is ISPWNFGYKAOYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-4-10(5-13-2)6-14-12(9)17-11-7-15-16(3)8-11/h4,6-8,13H,5H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine?
N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine is sourced from PubChem (CID 116793108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).