acetic acid;4,5-dihydro-1H-imidazol-2-amine

C5H11N3O2 — CID 174455956

IUPACacetic acid;4,5-dihydro-1H-imidazol-2-amine
SMILESCC(=O)O.NC1=NCCN1
InChIInChI=1S/C3H7N3.C2H4O2/c4-3-5-1-2-6-3;1-2(3)4/h1-2H2,(H3,4,5,6);1H3,(H,3,4)
InChIKeyGWPYBPVWZSFRJX-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.00
Rot. Bonds

About acetic acid;4,5-dihydro-1H-imidazol-2-amine

acetic acid;4,5-dihydro-1H-imidazol-2-amine (PubChem CID 174455956) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is acetic acid;4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Nameacetic acid;4,5-dihydro-1H-imidazol-2-amine
PubChem CID174455956
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Nameacetic acid;4,5-dihydro-1H-imidazol-2-amine
SMILESCC(=O)O.NC1=NCCN1
InChIInChI=1S/C3H7N3.C2H4O2/c4-3-5-1-2-6-3;1-2(3)4/h1-2H2,(H3,4,5,6);1H3,(H,3,4)
InChIKeyGWPYBPVWZSFRJX-UHFFFAOYSA-N
XLogP-1.00
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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4,5-dihydro-1H-imidazole-2-carboxamide
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3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enoic acid
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1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one
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acetic acid;tris(yttrium)
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(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide
CID 137034909
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CID 69049962
2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid
CID 154961544
2-methyl-4,5-dihydro-1H-imidazole
CID 10798
2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid
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acetic acid;5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
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Frequently Asked Questions

What is the IUPAC name of acetic acid;4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of acetic acid;4,5-dihydro-1H-imidazol-2-amine (CID 174455956) is acetic acid;4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for acetic acid;4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for acetic acid;4,5-dihydro-1H-imidazol-2-amine is CC(=O)O.NC1=NCCN1.
What is the InChIKey of acetic acid;4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is GWPYBPVWZSFRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3.C2H4O2/c4-3-5-1-2-6-3;1-2(3)4/h1-2H2,(H3,4,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;4,5-dihydro-1H-imidazol-2-amine?
acetic acid;4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 145.16 g/mol, XLogP of -1.00, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 174455956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).