2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine

C10H21N5 — CID 116642052

IUPAC2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine
SMILESCCN(CC)CCn1cc(CCN)nn1
InChIInChI=1S/C10H21N5/c1-3-14(4-2)7-8-15-9-10(5-6-11)12-13-15/h9H,3-8,11H2,1-2H3
InChIKeyPTYPGNZKVFQGJI-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.12
Rot. Bonds7

About 2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine

2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine (PubChem CID 116642052) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine
PubChem CID116642052
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine
SMILESCCN(CC)CCn1cc(CCN)nn1
InChIInChI=1S/C10H21N5/c1-3-14(4-2)7-8-15-9-10(5-6-11)12-13-15/h9H,3-8,11H2,1-2H3
InChIKeyPTYPGNZKVFQGJI-UHFFFAOYSA-N
XLogP0.12
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine (CID 116642052) is 2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine is CCN(CC)CCn1cc(CCN)nn1.
What is the InChIKey of 2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine?
The InChIKey is PTYPGNZKVFQGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-3-14(4-2)7-8-15-9-10(5-6-11)12-13-15/h9H,3-8,11H2,1-2H3.
What are the key properties of 2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine?
2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine has a molecular weight of 211.31 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116642052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).