(5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol

C10H12BrN3OS — CID 106465514

IUPAC(5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol
SMILESCc1cc(C(O)c2c(Br)nnn2C)sc1C
InChIInChI=1S/C10H12BrN3OS/c1-5-4-7(16-6(5)2)9(15)8-10(11)12-13-14(8)3/h4,9,15H,1-3H3
InChIKeyWCIBDQWCSANNNO-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.34
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol

(5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol (PubChem CID 106465514) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol
PubChem CID106465514
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol
SMILESCc1cc(C(O)c2c(Br)nnn2C)sc1C
InChIInChI=1S/C10H12BrN3OS/c1-5-4-7(16-6(5)2)9(15)8-10(11)12-13-14(8)3/h4,9,15H,1-3H3
InChIKeyWCIBDQWCSANNNO-UHFFFAOYSA-N
XLogP2.34
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Bromo-3-methyltriazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 106461189
(5-Bromo-3-methyltriazol-4-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 106465419
(5-Bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 106465440
(4-Bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102829636
(4-Bromo-5-methylthiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 102829768
(5-Bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 105126972
(5-Bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 105128677
1-(5-Bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol
CID 106461100
(5-Bromo-3-methyltriazol-4-yl)-(5-bromothiophen-2-yl)methanol
CID 106461122
(5-Bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-Bromo-3-methyltriazol-4-yl)-thiophen-2-ylmethanol
CID 106461147
(5-Bromo-3-methyltriazol-4-yl)-(3-methylthiophen-2-yl)methanol
CID 106461166

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol (CID 106465514) is (5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol is Cc1cc(C(O)c2c(Br)nnn2C)sc1C.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol?
The InChIKey is WCIBDQWCSANNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-5-4-7(16-6(5)2)9(15)8-10(11)12-13-14(8)3/h4,9,15H,1-3H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol has a molecular weight of 302.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol is sourced from PubChem (CID 106465514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).