(2-amino-1H-imidazol-5-yl)methanol;hydrochloride

C4H8ClN3O — CID 20550067

IUPAC(2-amino-1H-imidazol-5-yl)methanol;hydrochloride
SMILESCl.Nc1ncc(CO)[nH]1
InChIInChI=1S/C4H7N3O.ClH/c5-4-6-1-3(2-8)7-4;/h1,8H,2H2,(H3,5,6,7);1H
InChIKeyLAIYMEINARVEKP-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.09
Rot. Bonds1

About (2-amino-1H-imidazol-5-yl)methanol;hydrochloride

(2-amino-1H-imidazol-5-yl)methanol;hydrochloride (PubChem CID 20550067) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is (2-amino-1H-imidazol-5-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(2-amino-1H-imidazol-5-yl)methanol;hydrochloride
PubChem CID20550067
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC Name(2-amino-1H-imidazol-5-yl)methanol;hydrochloride
SMILESCl.Nc1ncc(CO)[nH]1
InChIInChI=1S/C4H7N3O.ClH/c5-4-6-1-3(2-8)7-4;/h1,8H,2H2,(H3,5,6,7);1H
InChIKeyLAIYMEINARVEKP-UHFFFAOYSA-N
XLogP-0.09
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1H-imidazol-5-yl)methanol;hydrochloride?
The IUPAC name of (2-amino-1H-imidazol-5-yl)methanol;hydrochloride (CID 20550067) is (2-amino-1H-imidazol-5-yl)methanol;hydrochloride.
What is the SMILES notation for (2-amino-1H-imidazol-5-yl)methanol;hydrochloride?
The canonical SMILES for (2-amino-1H-imidazol-5-yl)methanol;hydrochloride is Cl.Nc1ncc(CO)[nH]1.
What is the InChIKey of (2-amino-1H-imidazol-5-yl)methanol;hydrochloride?
The InChIKey is LAIYMEINARVEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.ClH/c5-4-6-1-3(2-8)7-4;/h1,8H,2H2,(H3,5,6,7);1H.
What are the key properties of (2-amino-1H-imidazol-5-yl)methanol;hydrochloride?
(2-amino-1H-imidazol-5-yl)methanol;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1H-imidazol-5-yl)methanol;hydrochloride is sourced from PubChem (CID 20550067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).