5-(4-aminobut-1-enyl)-1H-imidazol-2-amine

C7H12N4 — CID 91180702

IUPAC5-(4-aminobut-1-enyl)-1H-imidazol-2-amine
SMILESNCCC=Cc1cnc(N)[nH]1
InChIInChI=1S/C7H12N4/c8-4-2-1-3-6-5-10-7(9)11-6/h1,3,5H,2,4,8H2,(H3,9,10,11)
InChIKeyQKTPEHLPOWQGCL-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.35
Rot. Bonds3

About 5-(4-aminobut-1-enyl)-1H-imidazol-2-amine

5-(4-aminobut-1-enyl)-1H-imidazol-2-amine (PubChem CID 91180702) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-(4-aminobut-1-enyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-aminobut-1-enyl)-1H-imidazol-2-amine
PubChem CID91180702
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5-(4-aminobut-1-enyl)-1H-imidazol-2-amine
SMILESNCCC=Cc1cnc(N)[nH]1
InChIInChI=1S/C7H12N4/c8-4-2-1-3-6-5-10-7(9)11-6/h1,3,5H,2,4,8H2,(H3,9,10,11)
InChIKeyQKTPEHLPOWQGCL-UHFFFAOYSA-N
XLogP0.35
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobut-1-enyl)-1H-imidazol-2-amine?
The IUPAC name of 5-(4-aminobut-1-enyl)-1H-imidazol-2-amine (CID 91180702) is 5-(4-aminobut-1-enyl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-(4-aminobut-1-enyl)-1H-imidazol-2-amine?
The canonical SMILES for 5-(4-aminobut-1-enyl)-1H-imidazol-2-amine is NCCC=Cc1cnc(N)[nH]1.
What is the InChIKey of 5-(4-aminobut-1-enyl)-1H-imidazol-2-amine?
The InChIKey is QKTPEHLPOWQGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c8-4-2-1-3-6-5-10-7(9)11-6/h1,3,5H,2,4,8H2,(H3,9,10,11).
What are the key properties of 5-(4-aminobut-1-enyl)-1H-imidazol-2-amine?
5-(4-aminobut-1-enyl)-1H-imidazol-2-amine has a molecular weight of 152.20 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobut-1-enyl)-1H-imidazol-2-amine is sourced from PubChem (CID 91180702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).