carbon dioxide;1-methylimidazol-2-amine

C5H7N3O2 — CID 159291040

IUPACcarbon dioxide;1-methylimidazol-2-amine
SMILESCn1ccnc1N.O=C=O
InChIInChI=1S/C4H7N3.CO2/c1-7-3-2-6-4(7)5;2-1-3/h2-3H,1H3,(H2,5,6);
InChIKeyLACWCHOFZVIILL-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.58
Rot. Bonds

About carbon dioxide;1-methylimidazol-2-amine

carbon dioxide;1-methylimidazol-2-amine (PubChem CID 159291040) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is carbon dioxide;1-methylimidazol-2-amine.

Molecular Properties

Compound Namecarbon dioxide;1-methylimidazol-2-amine
PubChem CID159291040
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Namecarbon dioxide;1-methylimidazol-2-amine
SMILESCn1ccnc1N.O=C=O
InChIInChI=1S/C4H7N3.CO2/c1-7-3-2-6-4(7)5;2-1-3/h2-3H,1H3,(H2,5,6);
InChIKeyLACWCHOFZVIILL-UHFFFAOYSA-N
XLogP-0.58
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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sodium 1-methylimidazole-2-thiolate
CID 23683688
1-butylimidazol-2-amine
CID 60860613
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
tetrakis(2-ethynyl-1-methylimidazole);zinc
CID 162450452
1-pentylimidazol-2-amine
CID 61354351
2-(4-isocyanatophenyl)sulfanyl-1-methylimidazole
CID 169353092
3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 62939060
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662
bis(2-aminoimidazol-1-yl) sulfate
CID 174496342

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-methylimidazol-2-amine?
The IUPAC name of carbon dioxide;1-methylimidazol-2-amine (CID 159291040) is carbon dioxide;1-methylimidazol-2-amine.
What is the SMILES notation for carbon dioxide;1-methylimidazol-2-amine?
The canonical SMILES for carbon dioxide;1-methylimidazol-2-amine is Cn1ccnc1N.O=C=O.
What is the InChIKey of carbon dioxide;1-methylimidazol-2-amine?
The InChIKey is LACWCHOFZVIILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.CO2/c1-7-3-2-6-4(7)5;2-1-3/h2-3H,1H3,(H2,5,6);.
What are the key properties of carbon dioxide;1-methylimidazol-2-amine?
carbon dioxide;1-methylimidazol-2-amine has a molecular weight of 141.13 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-methylimidazol-2-amine is sourced from PubChem (CID 159291040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).