2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine

C13H18N4 — CID 80634117

IUPAC2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
SMILESCc1nn(-c2ccc(CCN)cn2)c(C)c1C
InChIInChI=1S/C13H18N4/c1-9-10(2)16-17(11(9)3)13-5-4-12(6-7-14)8-15-13/h4-5,8H,6-7,14H2,1-3H3
InChIKeyAZSXJXFEBVBCKT-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.69
Rot. Bonds3

About 2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine

2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine (PubChem CID 80634117) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
PubChem CID80634117
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
SMILESCc1nn(-c2ccc(CCN)cn2)c(C)c1C
InChIInChI=1S/C13H18N4/c1-9-10(2)16-17(11(9)3)13-5-4-12(6-7-14)8-15-13/h4-5,8H,6-7,14H2,1-3H3
InChIKeyAZSXJXFEBVBCKT-UHFFFAOYSA-N
XLogP1.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine (CID 80634117) is 2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine is Cc1nn(-c2ccc(CCN)cn2)c(C)c1C.
What is the InChIKey of 2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is AZSXJXFEBVBCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-10(2)16-17(11(9)3)13-5-4-12(6-7-14)8-15-13/h4-5,8H,6-7,14H2,1-3H3.
What are the key properties of 2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine?
2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80634117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).