(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol

C10H10Br2N4O — CID 106461945

IUPAC(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc(Br)ccc1N
InChIInChI=1S/C10H10Br2N4O/c1-16-8(10(12)14-15-16)9(17)6-4-5(11)2-3-7(6)13/h2-4,9,17H,13H2,1H3
InChIKeyOTVRFZXNOKGVIQ-UHFFFAOYSA-N
MW362.03 g/mol
LogP2.00
Rot. Bonds2

About (2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol

(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol (PubChem CID 106461945) has the molecular formula C10H10Br2N4O and a molecular weight of 362.03 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
PubChem CID106461945
Molecular FormulaC10H10Br2N4O
Molecular Weight362.03 g/mol
Exact Mass359.92
IUPAC Name(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc(Br)ccc1N
InChIInChI=1S/C10H10Br2N4O/c1-16-8(10(12)14-15-16)9(17)6-4-5(11)2-3-7(6)13/h2-4,9,17H,13H2,1H3
InChIKeyOTVRFZXNOKGVIQ-UHFFFAOYSA-N
XLogP2.00
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.03
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
CID 106465474
(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
CID 114030491
(5-bromo-3-methyltriazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 106461168
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-3-methylphenyl)methanol
CID 106465421
(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol
CID 106461197
(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
CID 106461135
1-(2-amino-5-bromophenyl)ethanol
CID 68865052
(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol
CID 106461142
(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol
CID 106461393
(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461184
(7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106465645
(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The IUPAC name of (2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol (CID 106461945) is (2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The canonical SMILES for (2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol is Cn1nnc(Br)c1C(O)c1cc(Br)ccc1N.
What is the InChIKey of (2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The InChIKey is OTVRFZXNOKGVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N4O/c1-16-8(10(12)14-15-16)9(17)6-4-5(11)2-3-7(6)13/h2-4,9,17H,13H2,1H3.
What are the key properties of (2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol?
(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol has a molecular weight of 362.03 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 106461945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).