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

C10H11Cl2N3OS — CID 107969884

IUPAC(2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2N3OS/c1-2-3-15-7(5-13-14-15)9(16)6-4-8(11)17-10(6)12/h4-5,9,16H,2-3H2,1H3
InChIKeyCXDGXFOLZUJFCQ-UHFFFAOYSA-N
MW292.19 g/mol
LogP3.14
Rot. Bonds4

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

(2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol (PubChem CID 107969884) has the molecular formula C10H11Cl2N3OS and a molecular weight of 292.19 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
PubChem CID107969884
Molecular FormulaC10H11Cl2N3OS
Molecular Weight292.19 g/mol
Exact Mass291.00
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2N3OS/c1-2-3-15-7(5-13-14-15)9(16)6-4-8(11)17-10(6)12/h4-5,9,16H,2-3H2,1H3
InChIKeyCXDGXFOLZUJFCQ-UHFFFAOYSA-N
XLogP3.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 102830282
(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)-(2-propylpyrazol-3-yl)methanol
CID 107969661
(2,5-Dichlorothiophen-3-yl)-(2-ethylpyrazol-3-yl)methanol
CID 107969663
(2,5-Dichlorothiophen-3-yl)-pyrazin-2-ylmethanol
CID 107969669
(2,5-Dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
CID 107969904
(2,5-Dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 107969905
(2,5-Dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 107969906

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol (CID 107969884) is (2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is CXDGXFOLZUJFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3OS/c1-2-3-15-7(5-13-14-15)9(16)6-4-8(11)17-10(6)12/h4-5,9,16H,2-3H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol?
(2,5-dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 292.19 g/mol, XLogP of 3.14, 4 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-propyltriazol-4-yl)methanol is sourced from PubChem (CID 107969884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).