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

C14H15N5O — CID 106598036

IUPACN-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine
SMILESCNCc1cc(Oc2ncn(C)n2)c2ccccc2n1
InChIInChI=1S/C14H15N5O/c1-15-8-10-7-13(20-14-16-9-19(2)18-14)11-5-3-4-6-12(11)17-10/h3-7,9,15H,8H2,1-2H3
InChIKeyYLHZFECOTBYSGM-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.88
Rot. Bonds4

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

N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine (PubChem CID 106598036) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine
PubChem CID106598036
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine
SMILESCNCc1cc(Oc2ncn(C)n2)c2ccccc2n1
InChIInChI=1S/C14H15N5O/c1-15-8-10-7-13(20-14-16-9-19(2)18-14)11-5-3-4-6-12(11)17-10/h3-7,9,15H,8H2,1-2H3
InChIKeyYLHZFECOTBYSGM-UHFFFAOYSA-N
XLogP1.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine
CID 106597869
N-methyl-1-[4-(2-methylpropoxy)quinolin-2-yl]methanamine
CID 63377132
1-[4-(2-ethoxyethoxy)quinolin-2-yl]-N-methylmethanamine
CID 63377669
N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine
CID 63377272
N-methyl-1-[4-(oxan-4-ylmethoxy)quinolin-2-yl]methanamine
CID 63377188
N-methyl-1-[6-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methanamine
CID 106597823
N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine
CID 63377053
4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine
CID 106598677
N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377449
2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine
CID 63377178
2-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinoline-4-carbothioamide
CID 106597117
2-(methylaminomethyl)-N-propan-2-ylquinolin-4-amine
CID 113378137

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine (CID 106598036) is N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine is CNCc1cc(Oc2ncn(C)n2)c2ccccc2n1.
What is the InChIKey of N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine?
The InChIKey is YLHZFECOTBYSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-15-8-10-7-13(20-14-16-9-19(2)18-14)11-5-3-4-6-12(11)17-10/h3-7,9,15H,8H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine?
N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine has a molecular weight of 269.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine is sourced from PubChem (CID 106598036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).