(5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol

C10H12BrN3OS — CID 105126972

IUPAC(5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1csc(Br)c1
InChIInChI=1S/C10H12BrN3OS/c1-2-3-14-8(5-12-13-14)10(15)7-4-9(11)16-6-7/h4-6,10,15H,2-3H2,1H3
InChIKeyXCRDJJCDARSPEZ-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.59
Rot. Bonds4

About (5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol

(5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol (PubChem CID 105126972) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
PubChem CID105126972
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name(5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1csc(Br)c1
InChIInChI=1S/C10H12BrN3OS/c1-2-3-14-8(5-12-13-14)10(15)7-4-9(11)16-6-7/h4-6,10,15H,2-3H2,1H3
InChIKeyXCRDJJCDARSPEZ-UHFFFAOYSA-N
XLogP2.59
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 81444853
(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)-(2-propylpyrazol-3-yl)methanol
CID 105097957
(5-Bromothiophen-3-yl)-(2-ethylpyrazol-3-yl)methanol
CID 105098089
(5-Bromothiophen-3-yl)-pyrazin-2-ylmethanol
CID 105099085
1-(3-Propyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105127149
(5-Bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
CID 105128594
(5-Bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 105128677
1-(3-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128790
(5-Bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-Bromo-3-methyltriazol-4-yl)-(3-methylthiophen-2-yl)methanol
CID 106461166

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol (CID 105126972) is (5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)c1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is XCRDJJCDARSPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-2-3-14-8(5-12-13-14)10(15)7-4-9(11)16-6-7/h4-6,10,15H,2-3H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol?
(5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 302.20 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 105126972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).