1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine

C13H16N6 — CID 114419762

IUPAC1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2nn(C)c3ccccc23)nn1
InChIInChI=1S/C13H16N6/c1-9(14)11-7-19(17-15-11)8-12-10-5-3-4-6-13(10)18(2)16-12/h3-7,9H,8,14H2,1-2H3
InChIKeyOTLZYAVZLNXUCR-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.23
Rot. Bonds3

About 1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine

1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine (PubChem CID 114419762) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine
PubChem CID114419762
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2nn(C)c3ccccc23)nn1
InChIInChI=1S/C13H16N6/c1-9(14)11-7-19(17-15-11)8-12-10-5-3-4-6-13(10)18(2)16-12/h3-7,9H,8,14H2,1-2H3
InChIKeyOTLZYAVZLNXUCR-UHFFFAOYSA-N
XLogP1.23
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine (CID 114419762) is 1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine is CC(N)c1cn(Cc2nn(C)c3ccccc23)nn1.
What is the InChIKey of 1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine?
The InChIKey is OTLZYAVZLNXUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-9(14)11-7-19(17-15-11)8-12-10-5-3-4-6-13(10)18(2)16-12/h3-7,9H,8,14H2,1-2H3.
What are the key properties of 1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine?
1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine has a molecular weight of 256.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 114419762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).