(4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol

C8H8ClN3OS — CID 114685175

IUPAC(4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cc(Cl)cs1
InChIInChI=1S/C8H8ClN3OS/c1-12-6(3-10-11-12)8(13)7-2-5(9)4-14-7/h2-4,8,13H,1H3
InChIKeyQDKKASYRXYPOQI-UHFFFAOYSA-N
MW229.69 g/mol
LogP1.61
Rot. Bonds2

About (4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol

(4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 114685175) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is (4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID114685175
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC Name(4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cc(Cl)cs1
InChIInChI=1S/C8H8ClN3OS/c1-12-6(3-10-11-12)8(13)7-2-5(9)4-14-7/h2-4,8,13H,1H3
InChIKeyQDKKASYRXYPOQI-UHFFFAOYSA-N
XLogP1.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dibromothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 115836012
(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 114684801
(3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 115836020
(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 107947817
(2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol
CID 106694030
(3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105128739
(4-bromothiophen-3-yl)-(4-chlorothiophen-2-yl)methanol
CID 79595609
(3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 114684715
(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 107969143
(3-methyltriazol-4-yl)-pyridin-2-ylmethanol
CID 114684772
2-amino-1-(3-methyltriazol-4-yl)ethanol
CID 114685353
(4-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679678

Frequently Asked Questions

What is the IUPAC name of (4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol (CID 114685175) is (4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1cc(Cl)cs1.
What is the InChIKey of (4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is QDKKASYRXYPOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c1-12-6(3-10-11-12)8(13)7-2-5(9)4-14-7/h2-4,8,13H,1H3.
What are the key properties of (4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
(4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 229.69 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114685175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).