1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine

C13H19N5 — CID 106229058

IUPAC1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(Cc2cccc(C)n2)nn1
InChIInChI=1S/C13H19N5/c1-3-5-12(14)13-9-18(17-16-13)8-11-7-4-6-10(2)15-11/h4,6-7,9,12H,3,5,8,14H2,1-2H3
InChIKeyOIJLGDYXUFYPLT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.83
Rot. Bonds5

About 1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine

1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine (PubChem CID 106229058) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
PubChem CID106229058
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(Cc2cccc(C)n2)nn1
InChIInChI=1S/C13H19N5/c1-3-5-12(14)13-9-18(17-16-13)8-11-7-4-6-10(2)15-11/h4,6-7,9,12H,3,5,8,14H2,1-2H3
InChIKeyOIJLGDYXUFYPLT-UHFFFAOYSA-N
XLogP1.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229070
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229143
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]butan-1-amine
CID 114161233
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 114161205
1-[1-[(2-chloro-3-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106229222
1-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106229491
1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229354
1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazol-4-yl]butan-1-amine
CID 114161127
2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid
CID 116735088
1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine
CID 106228757
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine?
The IUPAC name of 1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine (CID 106229058) is 1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine is CCCC(N)c1cn(Cc2cccc(C)n2)nn1.
What is the InChIKey of 1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine?
The InChIKey is OIJLGDYXUFYPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-5-12(14)13-9-18(17-16-13)8-11-7-4-6-10(2)15-11/h4,6-7,9,12H,3,5,8,14H2,1-2H3.
What are the key properties of 1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine?
1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine is sourced from PubChem (CID 106229058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).