N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine

C11H15N5 — CID 102881039

IUPACN-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine
SMILESCc1cncc(CNCCn2ccnn2)c1
InChIInChI=1S/C11H15N5/c1-10-6-11(9-13-7-10)8-12-2-4-16-5-3-14-15-16/h3,5-7,9,12H,2,4,8H2,1H3
InChIKeySBBUENVCWXIIIL-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.77
Rot. Bonds5

About N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine

N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine (PubChem CID 102881039) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine
PubChem CID102881039
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine
SMILESCc1cncc(CNCCn2ccnn2)c1
InChIInChI=1S/C11H15N5/c1-10-6-11(9-13-7-10)8-12-2-4-16-5-3-14-15-16/h3,5-7,9,12H,2,4,8H2,1H3
InChIKeySBBUENVCWXIIIL-UHFFFAOYSA-N
XLogP0.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-2-(triazol-1-yl)ethanamine
CID 113375127
N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
N-[[4-(methoxymethyl)phenyl]methyl]-2-(triazol-1-yl)ethanamine
CID 113375117
N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 106937288
N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 107042671
2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880746
3-[[2-(triazol-1-yl)ethylamino]methyl]benzoic acid
CID 103263491
1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 102880827
3-N-methyl-5-N-[2-(triazol-1-yl)ethyl]pyridine-3,5-diamine
CID 104535868
N-[(5-methyl-3-pyridinyl)methyl]formamide
CID 142430826
4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
CID 102880995
N-[(5-methyl-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 102881076

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine (CID 102881039) is N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine is Cc1cncc(CNCCn2ccnn2)c1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine?
The InChIKey is SBBUENVCWXIIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-10-6-11(9-13-7-10)8-12-2-4-16-5-3-14-15-16/h3,5-7,9,12H,2,4,8H2,1H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine?
N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine has a molecular weight of 217.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine is sourced from PubChem (CID 102881039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).