acetic acid;5-methyl-1H-imidazol-2-amine

C6H11N3O2 — CID 21279803

IUPACacetic acid;5-methyl-1H-imidazol-2-amine
SMILESCC(=O)O.Cc1cnc(N)[nH]1
InChIInChI=1S/C4H7N3.C2H4O2/c1-3-2-6-4(5)7-3;1-2(3)4/h2H,1H3,(H3,5,6,7);1H3,(H,3,4)
InChIKeyVAZDDHZBHUBMFX-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.39
Rot. Bonds

About acetic acid;5-methyl-1H-imidazol-2-amine

acetic acid;5-methyl-1H-imidazol-2-amine (PubChem CID 21279803) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is acetic acid;5-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound Nameacetic acid;5-methyl-1H-imidazol-2-amine
PubChem CID21279803
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Nameacetic acid;5-methyl-1H-imidazol-2-amine
SMILESCC(=O)O.Cc1cnc(N)[nH]1
InChIInChI=1S/C4H7N3.C2H4O2/c1-3-2-6-4(5)7-3;1-2(3)4/h2H,1H3,(H3,5,6,7);1H3,(H,3,4)
InChIKeyVAZDDHZBHUBMFX-UHFFFAOYSA-N
XLogP0.39
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylimidazole
CID 13195
2-Ethyl-4-methylimidazole
CID 70262
2,4-Dimethylimidazole
CID 70259
2-Iodo-4-methyl-1H-imidazole
CID 322560
4-Methyl-2-propyl-1H-imidazole
CID 12199456
5-methyl-1H-imidazol-2-amine
CID 322559
N-(4-Methyl-1H-imidazol-2-yl)-acetamide
CID 566330
4(5)-(Methyl-d3)imidazole; 5-(Methyl-d3)-1H-imidazole
CID 71750394
2-Bromo-4-methyl-1H-imidazole
CID 7204878
1-(4-Methyl-1H-imidazol-2-yl)ethanone
CID 565883
Imidazole, 4-acetoxyethyl-
CID 129927816
2-chloro-5-methyl-1H-imidazole
CID 313195

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-methyl-1H-imidazol-2-amine?
The IUPAC name of acetic acid;5-methyl-1H-imidazol-2-amine (CID 21279803) is acetic acid;5-methyl-1H-imidazol-2-amine.
What is the SMILES notation for acetic acid;5-methyl-1H-imidazol-2-amine?
The canonical SMILES for acetic acid;5-methyl-1H-imidazol-2-amine is CC(=O)O.Cc1cnc(N)[nH]1.
What is the InChIKey of acetic acid;5-methyl-1H-imidazol-2-amine?
The InChIKey is VAZDDHZBHUBMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.C2H4O2/c1-3-2-6-4(5)7-3;1-2(3)4/h2H,1H3,(H3,5,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;5-methyl-1H-imidazol-2-amine?
acetic acid;5-methyl-1H-imidazol-2-amine has a molecular weight of 157.17 g/mol, XLogP of 0.39, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 21279803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).