(3-propyltriazol-4-yl)-thiophen-3-ylmethanol

C10H13N3OS — CID 114684749

IUPAC(3-propyltriazol-4-yl)-thiophen-3-ylmethanol
SMILESCCCn1nncc1C(O)c1ccsc1
InChIInChI=1S/C10H13N3OS/c1-2-4-13-9(6-11-12-13)10(14)8-3-5-15-7-8/h3,5-7,10,14H,2,4H2,1H3
InChIKeyKERKXTDQVKIERL-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.83
Rot. Bonds4

About (3-propyltriazol-4-yl)-thiophen-3-ylmethanol

(3-propyltriazol-4-yl)-thiophen-3-ylmethanol (PubChem CID 114684749) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is (3-propyltriazol-4-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(3-propyltriazol-4-yl)-thiophen-3-ylmethanol
PubChem CID114684749
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name(3-propyltriazol-4-yl)-thiophen-3-ylmethanol
SMILESCCCn1nncc1C(O)c1ccsc1
InChIInChI=1S/C10H13N3OS/c1-2-4-13-9(6-11-12-13)10(14)8-3-5-15-7-8/h3,5-7,10,14H,2,4H2,1H3
InChIKeyKERKXTDQVKIERL-UHFFFAOYSA-N
XLogP1.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
CID 112745722
(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
Pyrazin-2-yl(thiophen-3-yl)methanol
CID 63970675
(2-Propylpyrazol-3-yl)-thiophen-3-ylmethanol
CID 63975474
(2-Ethylpyrazol-3-yl)-thiophen-3-ylmethanol
CID 63975680
[1-(2-Thiophen-3-ylethyl)triazol-4-yl]methanol
CID 64086709
2-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 64086710
(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
2-thiophen-3-yl-1-(2H-triazol-4-yl)ethanol
CID 80494782
thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
1-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 81443993

Frequently Asked Questions

What is the IUPAC name of (3-propyltriazol-4-yl)-thiophen-3-ylmethanol?
The IUPAC name of (3-propyltriazol-4-yl)-thiophen-3-ylmethanol (CID 114684749) is (3-propyltriazol-4-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (3-propyltriazol-4-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (3-propyltriazol-4-yl)-thiophen-3-ylmethanol is CCCn1nncc1C(O)c1ccsc1.
What is the InChIKey of (3-propyltriazol-4-yl)-thiophen-3-ylmethanol?
The InChIKey is KERKXTDQVKIERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-4-13-9(6-11-12-13)10(14)8-3-5-15-7-8/h3,5-7,10,14H,2,4H2,1H3.
What are the key properties of (3-propyltriazol-4-yl)-thiophen-3-ylmethanol?
(3-propyltriazol-4-yl)-thiophen-3-ylmethanol has a molecular weight of 223.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyltriazol-4-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 114684749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).