(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol

C8H7Cl2N3OS — CID 107969906

IUPAC(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H7Cl2N3OS/c1-13-5(3-11-12-13)7(14)4-2-6(9)15-8(4)10/h2-3,7,14H,1H3
InChIKeyDROXCBPLKLPYLP-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.27
Rot. Bonds2

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

(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 107969906) has the molecular formula C8H7Cl2N3OS and a molecular weight of 264.14 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID107969906
Molecular FormulaC8H7Cl2N3OS
Molecular Weight264.14 g/mol
Exact Mass262.97
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H7Cl2N3OS/c1-13-5(3-11-12-13)7(14)4-2-6(9)15-8(4)10/h2-3,7,14H,1H3
InChIKeyDROXCBPLKLPYLP-UHFFFAOYSA-N
XLogP2.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102830038
(3-Chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 103408272
(5-Bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 105126972
1-(3-Propyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105127149
(5-Bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 105128677
1-(3-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128790
(2,5-Dichlorothiophen-3-yl)-pyrazin-2-ylmethanol
CID 107969669
(2,5-Dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 107969884
(2,5-Dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
CID 107969904
(2,5-Dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 107969905
(5-Bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969989
1-(2,5-Dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107970008

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol (CID 107969906) is (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is DROXCBPLKLPYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3OS/c1-13-5(3-11-12-13)7(14)4-2-6(9)15-8(4)10/h2-3,7,14H,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 264.14 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 107969906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).