2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine

C13H19N5O — CID 106597726

IUPAC2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccc(Oc2ncn(C)n2)n1
InChIInChI=1S/C13H19N5O/c1-10(2)7-14-8-11-5-4-6-12(16-11)19-13-15-9-18(3)17-13/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyAPQXUGAQTXNXGY-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.75
Rot. Bonds6

About 2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106597726) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106597726
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccc(Oc2ncn(C)n2)n1
InChIInChI=1S/C13H19N5O/c1-10(2)7-14-8-11-5-4-6-12(16-11)19-13-15-9-18(3)17-13/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyAPQXUGAQTXNXGY-UHFFFAOYSA-N
XLogP1.75
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 62289325
2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
CID 106598278
2-methyl-N-[(6-phenylmethoxy-2-pyridinyl)methyl]propan-1-amine
CID 62292446
N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55058295
2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 114470549
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296527
N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601212
N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82807232
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106597985
N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridazin-3-yl]methyl]ethanamine
CID 106597805
2-methyl-N-[[6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62322968
N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106907444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine (CID 106597726) is 2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine is CC(C)CNCc1cccc(Oc2ncn(C)n2)n1.
What is the InChIKey of 2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is APQXUGAQTXNXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)7-14-8-11-5-4-6-12(16-11)19-13-15-9-18(3)17-13/h4-6,9-10,14H,7-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106597726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).