N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine

C14H21N5 — CID 114687716

IUPACN-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)c1cccc(C)n1
InChIInChI=1S/C14H21N5/c1-4-9-19-13(10-16-18-19)14(15-5-2)12-8-6-7-11(3)17-12/h6-8,10,14-15H,4-5,9H2,1-3H3
InChIKeySCIZDJLYYDGUMK-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.09
Rot. Bonds6

About N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine

N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine (PubChem CID 114687716) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
PubChem CID114687716
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)c1cccc(C)n1
InChIInChI=1S/C14H21N5/c1-4-9-19-13(10-16-18-19)14(15-5-2)12-8-6-7-11(3)17-12/h6-8,10,14-15H,4-5,9H2,1-3H3
InChIKeySCIZDJLYYDGUMK-UHFFFAOYSA-N
XLogP2.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687718
N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687717
N-[(5-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688667
N-[(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038920
N-[(3,4-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038808
N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182281
N-[(3-bromo-2-fluorophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 107953661
N-[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687035
N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923832
N-[(5-chloro-2-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038903
N-[(2-fluoro-4-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038772
N-[(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038850

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine (CID 114687716) is N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine is CCCn1nncc1C(NCC)c1cccc(C)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The InChIKey is SCIZDJLYYDGUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-9-19-13(10-16-18-19)14(15-5-2)12-8-6-7-11(3)17-12/h6-8,10,14-15H,4-5,9H2,1-3H3.
What are the key properties of N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine?
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine has a molecular weight of 259.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114687716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).