2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine

C9H14N6 — CID 114558319

IUPAC2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine
SMILESCCn1nccc1-c1cn(CCN)nn1
InChIInChI=1S/C9H14N6/c1-2-15-9(3-5-11-15)8-7-14(6-4-10)13-12-8/h3,5,7H,2,4,6,10H2,1H3
InChIKeyNHGMZCYFOHHAHR-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.12
Rot. Bonds4

About 2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine

2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine (PubChem CID 114558319) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine
PubChem CID114558319
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine
SMILESCCn1nccc1-c1cn(CCN)nn1
InChIInChI=1S/C9H14N6/c1-2-15-9(3-5-11-15)8-7-14(6-4-10)13-12-8/h3,5,7H,2,4,6,10H2,1H3
InChIKeyNHGMZCYFOHHAHR-UHFFFAOYSA-N
XLogP0.12
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine (CID 114558319) is 2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine is CCn1nccc1-c1cn(CCN)nn1.
What is the InChIKey of 2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine?
The InChIKey is NHGMZCYFOHHAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-2-15-9(3-5-11-15)8-7-14(6-4-10)13-12-8/h3,5,7H,2,4,6,10H2,1H3.
What are the key properties of 2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine?
2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine has a molecular weight of 206.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine is sourced from PubChem (CID 114558319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).