N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine

C15H17N5O — CID 106597869

IUPACN-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine
SMILESCCNCc1cc(Oc2ncn(C)n2)c2ccccc2n1
InChIInChI=1S/C15H17N5O/c1-3-16-9-11-8-14(21-15-17-10-20(2)19-15)12-6-4-5-7-13(12)18-11/h4-8,10,16H,3,9H2,1-2H3
InChIKeyCAIIFFSJWXGYQV-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.27
Rot. Bonds5

About N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine

N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine (PubChem CID 106597869) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine
PubChem CID106597869
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine
SMILESCCNCc1cc(Oc2ncn(C)n2)c2ccccc2n1
InChIInChI=1S/C15H17N5O/c1-3-16-9-11-8-14(21-15-17-10-20(2)19-15)12-6-4-5-7-13(12)18-11/h4-8,10,16H,3,9H2,1-2H3
InChIKeyCAIIFFSJWXGYQV-UHFFFAOYSA-N
XLogP2.27
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine
CID 106598036
N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine
CID 63377578
N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridazin-3-yl]methyl]ethanamine
CID 106597805
4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine
CID 106598677
2-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinoline-4-carbothioamide
CID 106597117
N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377449
2-(ethylaminomethyl)-N-methyl-N-propylquinolin-4-amine
CID 55183246
2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine
CID 63377178
N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine
CID 102985914
1-[4-(2-ethoxyethoxy)quinolin-2-yl]-N-methylmethanamine
CID 63377669
N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718858
2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine
CID 106597726

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine (CID 106597869) is N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine is CCNCc1cc(Oc2ncn(C)n2)c2ccccc2n1.
What is the InChIKey of N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine?
The InChIKey is CAIIFFSJWXGYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-16-9-11-8-14(21-15-17-10-20(2)19-15)12-6-4-5-7-13(12)18-11/h4-8,10,16H,3,9H2,1-2H3.
What are the key properties of N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine?
N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine has a molecular weight of 283.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine is sourced from PubChem (CID 106597869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).