9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole

C21H17N5 — CID 155537853

IUPAC9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole
SMILESc1cncc(Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1
InChIInChI=1S/C21H17N5/c1-3-9-20-18(7-1)19-8-2-4-10-21(19)26(20)15-17-14-25(24-23-17)13-16-6-5-11-22-12-16/h1-12,14H,13,15H2
InChIKeyMAIVGUWTIMGDRI-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.88
Rot. Bonds4

About 9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole

9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole (PubChem CID 155537853) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole.

Molecular Properties

Compound Name9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole
PubChem CID155537853
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole
SMILESc1cncc(Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1
InChIInChI=1S/C21H17N5/c1-3-9-20-18(7-1)19-8-2-4-10-21(19)26(20)15-17-14-25(24-23-17)13-16-6-5-11-22-12-16/h1-12,14H,13,15H2
InChIKeyMAIVGUWTIMGDRI-UHFFFAOYSA-N
XLogP3.88
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole?
The IUPAC name of 9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole (CID 155537853) is 9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole.
What is the SMILES notation for 9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole?
The canonical SMILES for 9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole is c1cncc(Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1.
What is the InChIKey of 9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole?
The InChIKey is MAIVGUWTIMGDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-3-9-20-18(7-1)19-8-2-4-10-21(19)26(20)15-17-14-25(24-23-17)13-16-6-5-11-22-12-16/h1-12,14H,13,15H2.
What are the key properties of 9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole?
9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole has a molecular weight of 339.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole is sourced from PubChem (CID 155537853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).