5-ethyl-1H-imidazol-2-amine

C5H9N3 — CID 11819057

IUPAC5-ethyl-1H-imidazol-2-amine
SMILESCCc1cnc(N)[nH]1
InChIInChI=1S/C5H9N3/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3,(H3,6,7,8)
InChIKeyRFDQETHJZZCIIU-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.55
Rot. Bonds1

About 5-ethyl-1H-imidazol-2-amine

5-ethyl-1H-imidazol-2-amine (PubChem CID 11819057) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 5-ethyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-ethyl-1H-imidazol-2-amine
PubChem CID11819057
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name5-ethyl-1H-imidazol-2-amine
SMILESCCc1cnc(N)[nH]1
InChIInChI=1S/C5H9N3/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3,(H3,6,7,8)
InChIKeyRFDQETHJZZCIIU-UHFFFAOYSA-N
XLogP0.55
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1H-imidazol-2-amine?
The IUPAC name of 5-ethyl-1H-imidazol-2-amine (CID 11819057) is 5-ethyl-1H-imidazol-2-amine.
What is the SMILES notation for 5-ethyl-1H-imidazol-2-amine?
The canonical SMILES for 5-ethyl-1H-imidazol-2-amine is CCc1cnc(N)[nH]1.
What is the InChIKey of 5-ethyl-1H-imidazol-2-amine?
The InChIKey is RFDQETHJZZCIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3,(H3,6,7,8).
What are the key properties of 5-ethyl-1H-imidazol-2-amine?
5-ethyl-1H-imidazol-2-amine has a molecular weight of 111.15 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1H-imidazol-2-amine is sourced from PubChem (CID 11819057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).