N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine

C12H17N5O — CID 106598447

IUPACN-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ncn(C)n2)nc1
InChIInChI=1S/C12H17N5O/c1-3-13-6-10-4-5-11(14-7-10)8-18-12-15-9-17(2)16-12/h4-5,7,9,13H,3,6,8H2,1-2H3
InChIKeyWYCQHIQJHBGLJT-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.90
Rot. Bonds6

About N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine

N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine (PubChem CID 106598447) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine
PubChem CID106598447
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ncn(C)n2)nc1
InChIInChI=1S/C12H17N5O/c1-3-13-6-10-4-5-11(14-7-10)8-18-12-15-9-17(2)16-12/h4-5,7,9,13H,3,6,8H2,1-2H3
InChIKeyWYCQHIQJHBGLJT-UHFFFAOYSA-N
XLogP0.90
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
CID 106598278
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 106597984
N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridazin-3-yl]methyl]ethanamine
CID 106597805
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796088
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796270
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-N-methylpyridin-2-amine
CID 62283072
N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine
CID 65197584
N-[[6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]methyl]ethanamine
CID 104961014
N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine
CID 106597869
N-[[3,5-dibromo-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 107742010
N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine
CID 116793594
N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66142118

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine (CID 106598447) is N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(COc2ncn(C)n2)nc1.
What is the InChIKey of N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is WYCQHIQJHBGLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-13-6-10-4-5-11(14-7-10)8-18-12-15-9-17(2)16-12/h4-5,7,9,13H,3,6,8H2,1-2H3.
What are the key properties of N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine?
N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106598447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).