carbon dioxide;1-(1H-imidazol-5-yl)ethanamine

C6H9N3O2 — CID 176541381

IUPACcarbon dioxide;1-(1H-imidazol-5-yl)ethanamine
SMILESCC(N)c1cnc[nH]1.O=C=O
InChIInChI=1S/C5H9N3.CO2/c1-4(6)5-2-7-3-8-5;2-1-3/h2-4H,6H2,1H3,(H,7,8);
InChIKeyWJXRMEYUDBCFII-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.15
Rot. Bonds1

About carbon dioxide;1-(1H-imidazol-5-yl)ethanamine

carbon dioxide;1-(1H-imidazol-5-yl)ethanamine (PubChem CID 176541381) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is carbon dioxide;1-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Namecarbon dioxide;1-(1H-imidazol-5-yl)ethanamine
PubChem CID176541381
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namecarbon dioxide;1-(1H-imidazol-5-yl)ethanamine
SMILESCC(N)c1cnc[nH]1.O=C=O
InChIInChI=1S/C5H9N3.CO2/c1-4(6)5-2-7-3-8-5;2-1-3/h2-4H,6H2,1H3,(H,7,8);
InChIKeyWJXRMEYUDBCFII-UHFFFAOYSA-N
XLogP-0.15
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine
CID 10447569
(2S,3S)-3-(1H-imidazol-5-yl)butan-2-amine;dihydrobromide
CID 45262234
(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250
(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
CID 67125181
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386
(2S)-2,5-diamino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid
CID 69387162
4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine
CID 129387018
3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine
CID 82409786
3-(1H-imidazol-5-yl)butylphosphonic acid
CID 132937842
2-amino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid
CID 174776240
(2S)-3-(1H-imidazol-5-yl)-2-pyrrol-1-ylbutanoic acid
CID 118492450

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of carbon dioxide;1-(1H-imidazol-5-yl)ethanamine (CID 176541381) is carbon dioxide;1-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for carbon dioxide;1-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for carbon dioxide;1-(1H-imidazol-5-yl)ethanamine is CC(N)c1cnc[nH]1.O=C=O.
What is the InChIKey of carbon dioxide;1-(1H-imidazol-5-yl)ethanamine?
The InChIKey is WJXRMEYUDBCFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.CO2/c1-4(6)5-2-7-3-8-5;2-1-3/h2-4H,6H2,1H3,(H,7,8);.
What are the key properties of carbon dioxide;1-(1H-imidazol-5-yl)ethanamine?
carbon dioxide;1-(1H-imidazol-5-yl)ethanamine has a molecular weight of 155.16 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 176541381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).