(2-amino-3-methylimidazol-4-yl)methanol

C5H9N3O — CID 53411272

IUPAC(2-amino-3-methylimidazol-4-yl)methanol
SMILESCn1c(CO)cnc1N
InChIInChI=1S/C5H9N3O/c1-8-4(3-9)2-7-5(8)6/h2,9H,3H2,1H3,(H2,6,7)
InChIKeyBQRWIUDGCNMEEQ-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.51
Rot. Bonds1

About (2-amino-3-methylimidazol-4-yl)methanol

(2-amino-3-methylimidazol-4-yl)methanol (PubChem CID 53411272) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (2-amino-3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-amino-3-methylimidazol-4-yl)methanol
PubChem CID53411272
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(2-amino-3-methylimidazol-4-yl)methanol
SMILESCn1c(CO)cnc1N
InChIInChI=1S/C5H9N3O/c1-8-4(3-9)2-7-5(8)6/h2,9H,3H2,1H3,(H2,6,7)
InChIKeyBQRWIUDGCNMEEQ-UHFFFAOYSA-N
XLogP-0.51
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylimidazol-4-yl)methanol?
The IUPAC name of (2-amino-3-methylimidazol-4-yl)methanol (CID 53411272) is (2-amino-3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (2-amino-3-methylimidazol-4-yl)methanol?
The canonical SMILES for (2-amino-3-methylimidazol-4-yl)methanol is Cn1c(CO)cnc1N.
What is the InChIKey of (2-amino-3-methylimidazol-4-yl)methanol?
The InChIKey is BQRWIUDGCNMEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-4(3-9)2-7-5(8)6/h2,9H,3H2,1H3,(H2,6,7).
What are the key properties of (2-amino-3-methylimidazol-4-yl)methanol?
(2-amino-3-methylimidazol-4-yl)methanol has a molecular weight of 127.15 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 53411272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).