1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine

C14H21N5O — CID 105065787

IUPAC1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCn1ncnc1CC(NC)c1ccncc1OC
InChIInChI=1S/C14H21N5O/c1-4-7-19-14(17-10-18-19)8-12(15-2)11-5-6-16-9-13(11)20-3/h5-6,9-10,12,15H,4,7-8H2,1-3H3
InChIKeyKXGNITBNBJXLDD-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.59
Rot. Bonds7

About 1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine

1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 105065787) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID105065787
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCn1ncnc1CC(NC)c1ccncc1OC
InChIInChI=1S/C14H21N5O/c1-4-7-19-14(17-10-18-19)8-12(15-2)11-5-6-16-9-13(11)20-3/h5-6,9-10,12,15H,4,7-8H2,1-3H3
InChIKeyKXGNITBNBJXLDD-UHFFFAOYSA-N
XLogP1.59
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine with MolForge

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Related Compounds

1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002993
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 102951147
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 114906400
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002924
[1-(3-methoxy-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319092
1-(2-ethoxyphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 115533904
1-(3-methoxy-4-pyridinyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030781
N-[2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
CID 105065826
2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065334
(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 105066291
2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065184
1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 105065296

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine (CID 105065787) is 1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine is CCCn1ncnc1CC(NC)c1ccncc1OC.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is KXGNITBNBJXLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-7-19-14(17-10-18-19)8-12(15-2)11-5-6-16-9-13(11)20-3/h5-6,9-10,12,15H,4,7-8H2,1-3H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 275.36 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 105065787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).