1-(2-aminoethyl)imidazol-4-amine

C5H10N4 — CID 96848259

IUPAC1-(2-aminoethyl)imidazol-4-amine
SMILESNCCn1cnc(N)c1
InChIInChI=1S/C5H10N4/c6-1-2-9-3-5(7)8-4-9/h3-4H,1-2,6-7H2
InChIKeyNTTDVJRRRYQXNC-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.58
Rot. Bonds2

About 1-(2-aminoethyl)imidazol-4-amine

1-(2-aminoethyl)imidazol-4-amine (PubChem CID 96848259) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(2-aminoethyl)imidazol-4-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)imidazol-4-amine
PubChem CID96848259
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1-(2-aminoethyl)imidazol-4-amine
SMILESNCCn1cnc(N)c1
InChIInChI=1S/C5H10N4/c6-1-2-9-3-5(7)8-4-9/h3-4H,1-2,6-7H2
InChIKeyNTTDVJRRRYQXNC-UHFFFAOYSA-N
XLogP-0.58
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)imidazol-4-amine?
The IUPAC name of 1-(2-aminoethyl)imidazol-4-amine (CID 96848259) is 1-(2-aminoethyl)imidazol-4-amine.
What is the SMILES notation for 1-(2-aminoethyl)imidazol-4-amine?
The canonical SMILES for 1-(2-aminoethyl)imidazol-4-amine is NCCn1cnc(N)c1.
What is the InChIKey of 1-(2-aminoethyl)imidazol-4-amine?
The InChIKey is NTTDVJRRRYQXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c6-1-2-9-3-5(7)8-4-9/h3-4H,1-2,6-7H2.
What are the key properties of 1-(2-aminoethyl)imidazol-4-amine?
1-(2-aminoethyl)imidazol-4-amine has a molecular weight of 126.16 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)imidazol-4-amine is sourced from PubChem (CID 96848259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).