9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole

C20H18N4S — CID 145393053

IUPAC9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole
SMILESCCn1c2ccccc2c2cc(N3NNC=C3c3cccs3)ccc21
InChIInChI=1S/C20H18N4S/c1-2-23-17-7-4-3-6-15(17)16-12-14(9-10-18(16)23)24-19(13-21-22-24)20-8-5-11-25-20/h3-13,21-22H,2H2,1H3
InChIKeyKRJYCPLGYULKDK-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.70
Rot. Bonds3

About 9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole

9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole (PubChem CID 145393053) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is 9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole.

Molecular Properties

Compound Name9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole
PubChem CID145393053
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole
SMILESCCn1c2ccccc2c2cc(N3NNC=C3c3cccs3)ccc21
InChIInChI=1S/C20H18N4S/c1-2-23-17-7-4-3-6-15(17)16-12-14(9-10-18(16)23)24-19(13-21-22-24)20-8-5-11-25-20/h3-13,21-22H,2H2,1H3
InChIKeyKRJYCPLGYULKDK-UHFFFAOYSA-N
XLogP4.70
TPSA32.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole?
The IUPAC name of 9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole (CID 145393053) is 9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole.
What is the SMILES notation for 9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole?
The canonical SMILES for 9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole is CCn1c2ccccc2c2cc(N3NNC=C3c3cccs3)ccc21.
What is the InChIKey of 9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole?
The InChIKey is KRJYCPLGYULKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c1-2-23-17-7-4-3-6-15(17)16-12-14(9-10-18(16)23)24-19(13-21-22-24)20-8-5-11-25-20/h3-13,21-22H,2H2,1H3.
What are the key properties of 9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole?
9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole has a molecular weight of 346.46 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole is sourced from PubChem (CID 145393053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).