boric acid;1H-imidazol-2-amine

C3H8BN3O3 — CID 174688590

IUPACboric acid;1H-imidazol-2-amine
SMILESNc1ncc[nH]1.OB(O)O
InChIInChI=1S/C3H5N3.BH3O3/c4-3-5-1-2-6-3;2-1(3)4/h1-2H,(H3,4,5,6);2-4H
InChIKeyCVQFFDINSDGRTD-UHFFFAOYSA-N
MW144.93 g/mol
LogP-2.06
Rot. Bonds

About boric acid;1H-imidazol-2-amine

boric acid;1H-imidazol-2-amine (PubChem CID 174688590) has the molecular formula C3H8BN3O3 and a molecular weight of 144.93 g/mol. Its IUPAC name is boric acid;1H-imidazol-2-amine.

Molecular Properties

Compound Nameboric acid;1H-imidazol-2-amine
PubChem CID174688590
Molecular FormulaC3H8BN3O3
Molecular Weight144.93 g/mol
Exact Mass145.07
IUPAC Nameboric acid;1H-imidazol-2-amine
SMILESNc1ncc[nH]1.OB(O)O
InChIInChI=1S/C3H5N3.BH3O3/c4-3-5-1-2-6-3;2-1(3)4/h1-2H,(H3,4,5,6);2-4H
InChIKeyCVQFFDINSDGRTD-UHFFFAOYSA-N
XLogP-2.06
TPSA115.39 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.93
LogP ≤ 5-2.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1H-imidazol-2-ylboronic acid;dihydrochloride
CID 155897336
1H-imidazole-2-carbothioamide
CID 18521648
4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline
CID 174782516
methanol;2-methyl-1H-imidazole
CID 174899485
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
bis(1H-imidazol-2-yl)methanethione
CID 11412697
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734
N'-(1H-imidazol-2-yl)ethanimidamide
CID 142107184
(Z)-1-(1H-imidazol-2-yl)ethylidenehydrazine
CID 137270945
sodium;2-methyl-1H-imidazole;chloride
CID 174938695
tris(1H-imidazol-2-yl)phosphane
CID 12657118
tris(1H-imidazol-2-yl)silane
CID 123177194

Frequently Asked Questions

What is the IUPAC name of boric acid;1H-imidazol-2-amine?
The IUPAC name of boric acid;1H-imidazol-2-amine (CID 174688590) is boric acid;1H-imidazol-2-amine.
What is the SMILES notation for boric acid;1H-imidazol-2-amine?
The canonical SMILES for boric acid;1H-imidazol-2-amine is Nc1ncc[nH]1.OB(O)O.
What is the InChIKey of boric acid;1H-imidazol-2-amine?
The InChIKey is CVQFFDINSDGRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3.BH3O3/c4-3-5-1-2-6-3;2-1(3)4/h1-2H,(H3,4,5,6);2-4H.
What are the key properties of boric acid;1H-imidazol-2-amine?
boric acid;1H-imidazol-2-amine has a molecular weight of 144.93 g/mol, XLogP of -2.06, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;1H-imidazol-2-amine is sourced from PubChem (CID 174688590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).